| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38 | Very low | 69.4 | Low | 248 Ų | 248 | 74 Ų | 74 | 100% | 1.222 | 50% | 0.498 | S | S | * | . | 0 | 114.8 | 0 | -69.5 | 179.3 | 175.8 | 0 | 0 | 107.4 | A3 | M1-A3 PolarHBondContact O-N 3.47Š| |||
| 2 | A | 37.1 | Very low | 71.1 | Confident | 92 Ų | 92 | 71.6 Ų | 71.6 | 76% | 0.76 | 48% | 0.476 | S | S | * | . | trans | -76.7 | 111.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | G4 | A2-G4 PolarHBondContact O-N 3.27Š| ||
| 3 | A | 41.4 | Very low | 72.3 | Confident | 112 Ų | 112 | 67.4 Ų | 67.4 | 93% | 0.926 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | 113.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109 | M1 | M1-A3 PolarHBondContact O-N 3.47Š|
| 4 | G | 57.8 | Low | 73 | Confident | 41 Ų | 41 | 67.3 Ų | 67.3 | 42% | 0.423 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 126.6 | -3.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | A2 | A2-G4 PolarHBondContact O-N 3.27Š|
| 5 | A | 64.1 | Low | 73.1 | Confident | 87 Ų | 87 | 68.6 Ų | 68.6 | 72% | 0.719 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -81.8 | 129.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 6 | I | 81 | Confident | 71.9 | Confident | 37 Ų | 37 | 76.4 Ų | 76.4 | 19% | 0.19 | 48% | 0.48 | C | S | . | . | P | Polyproline II helix | trans | -87.5 | 125.4 | 172.8 | -61.6 | 166.8 | 0 | 0 | 0 | 109 | A8 A109 T111 R115 S117 | I6-A8 PolarHBondContact O-N 3.44Å; I6-A109 HydrophobicContact CG2-CB 3.99Å; I6-T111 HydrophobicContact CD1-CG2 3.41Å; I6-T111 VanDerWaalsContact CD1-CG2 3.41Å; I6-T111 WeakPolarHBondContact CD1-OG1 3.26Å; I6-T111 HydrophobicContact CG1-CG2 3.89Å; I6-R115 HydrophobicContact CD1-CB 3.35Å; I6-R115 WeakPolarHBondContact CD1-O 3.49Å; I6-R115 HydrophobicContact CG1-CB 4.28Å; I6-S117 WeakPolarHBondContact O-CB 3.22Å |
| 7 | S | 86 | Confident | 70.6 | Confident | 59 Ų | 59 | 75.2 Ų | 75.2 | 41% | 0.413 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 133.4 | 175.3 | -60.5 | 0 | 0 | 0 | 0 | 111.7 | ||
| 8 | A | 88.2 | Confident | 69.2 | Low | 35 Ų | 35 | 79.1 Ų | 79.1 | 29% | 0.289 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 145.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111 | I6 | I6-A8 PolarHBondContact O-N 3.44Š|
| 9 | P | 89 | Confident | 67.9 | Low | 1 Ų | 1 | 80.2 Ų | 80.2 | 1% | 0.006 | 51% | 0.512 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 155.5 | 176.9 | 24.7 | -28.6 | 0 | 0 | 0 | 112.1 | I34 Q35 I69 A107 S117 V120 | P9-I34 HydrophobicContact CB-CG2 3.75Å; P9-I34 HydrophobicContact CG-CG2 4.45Å; P9-Q35 CarbonylContact C-O 3.52Å; P9-Q35 WeakPolarHBondContact CA-O 3.47Å; P9-Q35 WeakPolarHBondContact CB-O 3.23Å; P9-I69 HydrophobicContact CB-CD1 4.2Å; P9-I69 HydrophobicContact CB-CG2 4.49Å; P9-A107 HydrophobicContact CG-CB 3.8Å; P9-S117 WeakPolarHBondContact CD-OG 3.33Å; P9-V120 HydrophobicContact CG-CG1 3.81Å; P9-V120 WeakPolarHBondContact O-CG1 3.31Å |
| 10 | L | 90.2 | Very high | 67 | Low | 93 Ų | 93 | 88.8 Ų | 88.8 | 49% | 0.487 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 125 | 176.7 | -62.7 | 175.5 | 0 | 0 | 0 | 110 | I12 I34 Q35 | L10-I12 HydrophobicContact CB-CD1 4.08Å; L10-I12 HydrophobicContact CB-CG1 4.21Å; L10-I34 CarbonylContact O-C 3.55Å; L10-I34 VanDerWaalsContact O-CA 3.32Å; L10-I34 WeakPolarHBondContact O-CA 3.45Å; L10-Q35 PolarHBondContact N-O 3.36Å; L10-Q35 PolarHBondContact O-N 3.44Å |
| 11 | I | 91 | Very high | 66.5 | Low | 9 Ų | 9 | 88.8 Ų | 88.8 | 5% | 0.046 | 53% | 0.527 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 116.2 | 178.2 | -54.9 | 165.1 | 0 | 0 | 0 | 109.1 | V32 C33 I34 V105 A107 V120 K122 F124 | I11-V32 HydrophobicContact CG2-CG1 3.52Å; I11-C33 CarbonylContact C-O 3.58Å; I11-C33 WeakPolarHBondContact CA-O 3.49Å; I11-I34 HydrophobicContact CG1-CG1 4.33Å; I11-I34 HydrophobicContact CG1-CG2 4.23Å; I11-V105 HydrophobicContact CD1-CB 4.01Å; I11-V105 HydrophobicContact CD1-CG1 3.75Å; I11-V105 WeakPolarHBondContact CD1-O 2.82Å; I11-V105 HydrophobicContact CG1-CG1 4.34Å; I11-V105 HydrophobicContact CG2-CB 4.28Å; I11-V105 HydrophobicContact CG2-CG1 4.1Å; I11-A107 HydrophobicContact CD1-CB 4.32Å; I11-V120 HydrophobicContact CD1-CG1 3.68Å; I11-V120 HydrophobicContact CG1-CG1 4.03Å; I11-K122 HydrophobicContact CB-CB 4Å; I11-K122 HydrophobicContact CB-CD 3.92Å; I11-K122 HydrophobicContact CD1-CB 3.84Å; I11-K122 HydrophobicContact CG2-CB 4.15Å; I11-K122 HydrophobicContact CG2-CD 4.07Å; I11-K122 WeakPolarHBondContact O-CD 3.39Å; I11-K122 PolarHBondContact O-NZ 3.43Å; I11-F124 HydrophobicContact CG2-CE2 3.7Å; I11-F124 HydrophobicContact CG2-CZ 3.89Å |
| 12 | I | 89.1 | Confident | 67.6 | Low | 45 Ų | 45 | 80.8 Ų | 80.8 | 23% | 0.231 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 128.1 | -167.8 | -49.3 | 177.1 | 0 | 0 | 0 | 110.3 | L10 C33 | L10-I12 HydrophobicContact CB-CD1 4.08Å; L10-I12 HydrophobicContact CB-CG1 4.21Å; I12-C33 PolarHBondContact N-O 3.3Å; I12-C33 PolarHBondContact O-N 2.82Å |
| 13 | P | 86.9 | Confident | 69.2 | Low | 17 Ų | 17 | 82.9 Ų | 82.9 | 11% | 0.11 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 139.1 | 169.7 | 31.1 | -33.7 | 0 | 0 | 0 | 110.9 | S15 K23 I26 T30 P31 F124 | P13-S15 PolarHBondContact O-N 3.25Å; P13-K23 HydrophobicContact CG-CG 4.26Å; P13-I26 HydrophobicContact CB-CG2 3.78Å; P13-I26 HydrophobicContact CG-CG2 4.27Å; P13-T30 HydrophobicContact CB-CG2 4.04Å; P13-P31 CarbonylContact C-O 3.59Å; P13-F124 HydrophobicContact CB-CE1 4.42Å; P13-F124 HydrophobicContact CG-CE1 4.34Å |
| 14 | I | 82.9 | Confident | 71.1 | Confident | 66 Ų | 66 | 80.8 Ų | 80.8 | 34% | 0.338 | 46% | 0.462 | S | S | . | . | trans | -90.4 | 93.6 | 171.7 | -46.7 | 176.6 | 0 | 0 | 0 | 106.4 | P31 C33 P95 | I14-P31 HydrophobicContact CB-CB 4.35Å; I14-P31 HydrophobicContact CB-CG 4.09Å; I14-P31 HydrophobicContact CD1-CB 3.88Å; I14-P31 HydrophobicContact CD1-CG 4.17Å; I14-P31 HydrophobicContact CG1-CB 4.31Å; I14-P31 PolarHBondContact N-O 3.02Å; I14-P31 WeakPolarHBondContact O-CD 3.4Å; I14-C33 HydrophobicContact CD1-CB 4.48Å; I14-C33 WeakPolarHBondContact CD1-SG 3.38Å; I14-C33 HydrophobicContact CG1-CB 4.25Å; I14-C33 VanDerWaalsContact CG1-SG 3.52Å; I14-P95 HydrophobicContact CD1-CB 3.85Å; I14-P95 HydrophobicContact CD1-CG 3.75Å | ||
| 15 | S | 73.8 | Confident | 72.4 | Confident | 87 Ų | 87 | 86.1 Ų | 86.1 | 61% | 0.608 | 47% | 0.469 | S | S | * | . | trans | -99.4 | 118.5 | 174.5 | 52.7 | 0 | 0 | 0 | 0 | 109.6 | P13 | P13-S15 PolarHBondContact O-N 3.25Š| ||
| 16 | E | 54.5 | Low | 73.5 | Confident | 194 Ų | 194 | 82.3 Ų | 82.3 | 91% | 0.907 | 44% | 0.437 | S | S | * | . | trans | -80.7 | 114.8 | 159.7 | -68.5 | 179 | -178.4 | 0 | 0 | 107.3 | ||||
| 17 | G | 48.9 | Very low | 73.8 | Confident | 55 Ų | 55 | 82.7 Ų | 82.7 | 57% | 0.567 | 44% | 0.439 | S | S | * | . | S | Bend | trans | 100.8 | 138.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | T19 | G17-T19 PolarHBondContact O-N 3.17Š|
| 18 | V | 45.1 | Very low | 73.9 | Confident | 146 Ų | 146 | 81.2 Ų | 81.2 | 89% | 0.885 | 43% | 0.428 | S | S | * | . | trans | -59 | 97.8 | 177.8 | 177.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 19 | T | 45.1 | Very low | 73.9 | Confident | 99 Ų | 99 | 88.9 Ų | 88.9 | 61% | 0.607 | 45% | 0.449 | S | S | * | . | trans | -127.8 | 132.6 | 157.1 | 57.3 | 0 | 0 | 0 | 0 | 109.9 | G17 K21 | G17-T19 PolarHBondContact O-N 3.17Å; T19-K21 PolarHBondContact O-N 2.99Å | ||
| 20 | R | 49.9 | Very low | 73.8 | Confident | 253 Ų | 253 | 90 Ų | 90 | 96% | 0.955 | 46% | 0.456 | S | S | * | . | trans | -69.9 | 29 | -178.8 | -58 | -178.3 | -178.3 | -153.8 | 0.9 | 112.8 | ||||
| 21 | K | 56.3 | Low | 73.6 | Confident | 88 Ų | 88 | 87.4 Ų | 87.4 | 38% | 0.383 | 45% | 0.445 | S | S | . | . | trans | -76.2 | 138.6 | 176.2 | -70.2 | -177.2 | -176.4 | 178.2 | 0 | 108.4 | T19 K23 D27 | T19-K21 PolarHBondContact O-N 2.99Å; K21-K23 PolarHBondContact O-N 3.35Å; K21-D27 IonicContact NZ-OD1 2.74Å; K21-D27 PolarHBondContact NZ-OD1 3.27Å; K21-D27 VanDerWaalsContact NZ-OD1 3.17Å; K21-D27 IonicContact NZ-OD2 3.17Å; K21-D27 PolarHBondContact NZ-OD2 2.72Å | ||
| 22 | P | 60.7 | Low | 73.6 | Confident | 80 Ų | 80 | 87 Ų | 87 | 52% | 0.519 | 44% | 0.443 | S | S | . | . | trans | -56.9 | 142.1 | 174.1 | 20.7 | -29.1 | 0 | 0 | 0 | 109.9 | T24 R25 | P22-T24 PolarHBondContact O-N 3.33Å; P22-R25 HydrophobicContact CG-CB 4Å; P22-R25 PolarHBondContact O-N 3.31Å | ||
| 23 | K | 70.8 | Confident | 73.6 | Confident | 137 Ų | 137 | 85.8 Ų | 85.8 | 60% | 0.596 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -5.9 | -173.6 | -164.1 | 168.1 | -175 | 169.9 | 0 | 115.4 | P13 K21 | P13-K23 HydrophobicContact CG-CG 4.26Å; K21-K23 PolarHBondContact O-N 3.35Å |
| 24 | T | 81.7 | Confident | 73.7 | Confident | 68 Ų | 68 | 85.1 Ų | 85.1 | 42% | 0.417 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | -13.8 | 176.9 | 52.7 | 0 | 0 | 0 | 0 | 113.3 | P22 F124 S125 | P22-T24 PolarHBondContact O-N 3.33Å; T24-F124 CarbonylContact O-C 3.46Å; T24-F124 WeakPolarHBondContact O-CA 3.38Å; T24-S125 PolarHBondContact O-N 3.45Å |
| 25 | R | 84.3 | Confident | 73.8 | Confident | 153 Ų | 153 | 86.6 Ų | 86.6 | 58% | 0.577 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 115.8 | 176.4 | -171.5 | 175.2 | 178.4 | -179.8 | -0.8 | 109 | P22 S125 | P22-R25 HydrophobicContact CG-CB 4Å; P22-R25 PolarHBondContact O-N 3.31Å; R25-S125 WeakPolarHBondContact CA-O 3.33Å |
| 26 | I | 87.6 | Confident | 74.1 | Confident | 7 Ų | 7 | 84.8 Ų | 84.8 | 4% | 0.036 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 171.8 | -178.2 | 66 | 172.2 | 0 | 0 | 0 | 109.2 | P13 T30 V32 L98 F124 S125 V126 G127 | P13-I26 HydrophobicContact CB-CG2 3.78Å; P13-I26 HydrophobicContact CG-CG2 4.27Å; I26-T30 HydrophobicContact CB-CG2 4.14Å; I26-T30 HydrophobicContact CG2-CG2 4.2Å; I26-V32 HydrophobicContact CD1-CG2 3.68Å; I26-L98 HydrophobicContact CD1-CD1 3.92Å; I26-L98 HydrophobicContact CD1-CG 4.31Å; I26-F124 HydrophobicContact CD1-CB 4.25Å; I26-F124 HydrophobicContact CD1-CD1 3.81Å; I26-F124 HydrophobicContact CD1-CE1 4.34Å; I26-F124 HydrophobicContact CD1-CG 4.09Å; I26-F124 HydrophobicContact CG1-CB 4.29Å; I26-F124 HydrophobicContact CG1-CD1 4.09Å; I26-F124 HydrophobicContact CG1-CG 4.48Å; I26-F124 HydrophobicContact CG2-CD1 4.01Å; I26-F124 HydrophobicContact CG2-CE1 4.29Å; I26-S125 PolarHBondContact N-O 2.47Å; I26-S125 VanDerWaalsContact O-O 3.12Å; I26-V126 HydrophobicContact CD1-CG2 4.23Å; I26-V126 HydrophobicContact CG1-CB 4.48Å; I26-V126 HydrophobicContact CG1-CG1 4.4Å; I26-V126 HydrophobicContact CG1-CG2 3.94Å; I26-V126 CarbonylContact O-C 3.57Å; I26-V126 VanDerWaalsContact O-CA 3.23Å; I26-V126 WeakPolarHBondContact O-CA 3.41Å; I26-G127 PolarHBondContact O-N 3.32Å |
| 27 | D | 87.8 | Confident | 74.3 | Confident | 44 Ų | 44 | 77.2 Ų | 77.2 | 24% | 0.235 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 162.3 | 176.4 | -53.3 | -50.8 | 0 | 0 | 0 | 109.5 | K21 R29 T30 G127 V129 | K21-D27 IonicContact NZ-OD1 2.74Å; K21-D27 PolarHBondContact NZ-OD1 3.27Å; K21-D27 VanDerWaalsContact NZ-OD1 3.17Å; K21-D27 IonicContact NZ-OD2 3.17Å; K21-D27 PolarHBondContact NZ-OD2 2.72Å; D27-R29 PolarHBondContact O-N 3.09Å; D27-T30 PolarHBondContact N-OG1 3.13Å; D27-T30 WeakPolarHBondContact O-CB 3.42Å; D27-T30 PolarHBondContact O-N 3.13Å; D27-T30 PolarHBondContact O-OG1 2.87Å; D27-G127 CarbonylContact C-O 3.42Å; D27-G127 WeakPolarHBondContact CA-O 3.02Å; D27-V129 HydrophobicContact CB-CG2 3.57Å |
| 28 | T | 88.9 | Confident | 74.5 | Confident | 29 Ų | 29 | 79.1 Ų | 79.1 | 18% | 0.178 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -18.3 | -177.3 | 45.8 | 0 | 0 | 0 | 0 | 114 | A100 V126 G127 V129 | T28-A100 HydrophobicContact CG2-CB 3.81Å; T28-V126 HydrophobicContact CG2-CG1 3.71Å; T28-G127 WeakPolarHBondContact CG2-O 3.24Å; T28-G127 PolarHBondContact N-O 3.28Å; T28-V129 PolarHBondContact OG1-N 2.99Å |
| 29 | R | 87.6 | Confident | 74.1 | Confident | 195 Ų | 195 | 77.3 Ų | 77.3 | 74% | 0.736 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -10.7 | 175.9 | -61.6 | -179 | 68.6 | 171.4 | 0.5 | 113.8 | D27 P31 V129 | D27-R29 PolarHBondContact O-N 3.09Å; R29-P31 VanDerWaalsContact O-CD 3.31Å; R29-P31 WeakPolarHBondContact O-CD 3.11Å; R29-V129 HydrophobicContact CG-CB 4.35Å; R29-V129 HydrophobicContact CG-CG2 4.19Å |
| 30 | T | 86.4 | Confident | 73.5 | Confident | 24 Ų | 24 | 80 Ų | 80 | 15% | 0.147 | 41% | 0.405 | C | S | . | . | trans | -80.9 | 114.4 | -178.6 | -50.7 | 0 | 0 | 0 | 0 | 110.3 | P13 I26 D27 | P13-T30 HydrophobicContact CB-CG2 4.04Å; I26-T30 HydrophobicContact CB-CG2 4.14Å; I26-T30 HydrophobicContact CG2-CG2 4.2Å; D27-T30 PolarHBondContact N-OG1 3.13Å; D27-T30 WeakPolarHBondContact O-CB 3.42Å; D27-T30 PolarHBondContact O-N 3.13Å; D27-T30 PolarHBondContact O-OG1 2.87Å | ||
| 31 | P | 87 | Confident | 72.9 | Confident | 40 Ų | 40 | 74.6 Ų | 74.6 | 26% | 0.26 | 39% | 0.391 | S | S | . | . | trans | -69.1 | 146.9 | 175.8 | 5.9 | 3.2 | 0 | 0 | 0 | 111.6 | P13 I14 R29 P95 L97 | P13-P31 CarbonylContact C-O 3.59Å; I14-P31 HydrophobicContact CB-CB 4.35Å; I14-P31 HydrophobicContact CB-CG 4.09Å; I14-P31 HydrophobicContact CD1-CB 3.88Å; I14-P31 HydrophobicContact CD1-CG 4.17Å; I14-P31 HydrophobicContact CG1-CB 4.31Å; I14-P31 PolarHBondContact N-O 3.02Å; I14-P31 WeakPolarHBondContact O-CD 3.4Å; R29-P31 VanDerWaalsContact O-CD 3.31Å; R29-P31 WeakPolarHBondContact O-CD 3.11Å; P31-P95 HydrophobicContact CB-CB 3.88Å; P31-L97 HydrophobicContact CB-CD2 4.44Å | ||
| 32 | V | 89.7 | Confident | 71.7 | Confident | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 124.9 | 173.9 | 176 | 0 | 0 | 0 | 0 | 110 | I11 I26 P95 I96 L98 F124 | I11-V32 HydrophobicContact CG2-CG1 3.52Å; I26-V32 HydrophobicContact CD1-CG2 3.68Å; V32-P95 WeakPolarHBondContact O-CA 3.47Å; V32-I96 HydrophobicContact CB-CG1 4.2Å; V32-I96 PolarHBondContact N-O 3.07Å; V32-I96 PolarHBondContact O-N 2.81Å; V32-L98 HydrophobicContact CG2-CD1 3.88Å; V32-L98 HydrophobicContact CG2-CG 3.93Å; V32-F124 HydrophobicContact CG1-CE2 4.14Å; V32-F124 HydrophobicContact CG1-CZ 4.05Å; V32-F124 HydrophobicContact CG2-CE1 4.45Å; V32-F124 HydrophobicContact CG2-CE2 4.38Å; V32-F124 HydrophobicContact CG2-CZ 4.14Å |
| 33 | C | 88.9 | Confident | 70.2 | Confident | 19 Ų | 19 | 80.7 Ų | 80.7 | 13% | 0.128 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 147.7 | 170.9 | -84.4 | 0 | 0 | 0 | 0 | 112.3 | I11 I12 I14 Q35 Y92 | I11-C33 CarbonylContact C-O 3.58Å; I11-C33 WeakPolarHBondContact CA-O 3.49Å; I12-C33 PolarHBondContact N-O 3.3Å; I12-C33 PolarHBondContact O-N 2.82Å; I14-C33 HydrophobicContact CD1-CB 4.48Å; I14-C33 WeakPolarHBondContact CD1-SG 3.38Å; I14-C33 HydrophobicContact CG1-CB 4.25Å; I14-C33 VanDerWaalsContact CG1-SG 3.52Å; C33-Q35 HydrophobicContact CB-CG 4.39Å; C33-Y92 WeakPolarHBondContact CA-OH 3.16Å |
| 34 | I | 90.1 | Very high | 68.4 | Low | 3 Ų | 3 | 80.3 Ų | 80.3 | 2% | 0.015 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 104.8 | 167.4 | -48.4 | 179.7 | 0 | 0 | 0 | 107.9 | P9 L10 I11 I69 F71 Y92 I96 V105 A107 | P9-I34 HydrophobicContact CB-CG2 3.75Å; P9-I34 HydrophobicContact CG-CG2 4.45Å; L10-I34 CarbonylContact O-C 3.55Å; L10-I34 VanDerWaalsContact O-CA 3.32Å; L10-I34 WeakPolarHBondContact O-CA 3.45Å; I11-I34 HydrophobicContact CG1-CG1 4.33Å; I11-I34 HydrophobicContact CG1-CG2 4.23Å; I34-I69 HydrophobicContact CB-CG2 4.47Å; I34-I69 HydrophobicContact CG2-CD1 4.34Å; I34-I69 HydrophobicContact CG2-CG2 3.72Å; I34-F71 HydrophobicContact CD1-CB 3.7Å; I34-F71 HydrophobicContact CD1-CD1 4.12Å; I34-F71 HydrophobicContact CD1-CD2 4.23Å; I34-F71 HydrophobicContact CD1-CG 3.76Å; I34-Y92 HydrophobicContact CB-CD1 4.28Å; I34-Y92 HydrophobicContact CB-CD2 3.81Å; I34-Y92 HydrophobicContact CB-CE1 4.24Å; I34-Y92 HydrophobicContact CB-CE2 3.74Å; I34-Y92 HydrophobicContact CB-CG 4.08Å; I34-Y92 HydrophobicContact CD1-CD2 3.76Å; I34-Y92 HydrophobicContact CD1-CE2 4.15Å; I34-Y92 HydrophobicContact CD1-CG 4.46Å; I34-Y92 HydrophobicContact CG1-CD2 3.81Å; I34-Y92 HydrophobicContact CG1-CE2 3.72Å; I34-Y92 VanDerWaalsContact N-CZ 3.26Å; I34-Y92 PolarHBondContact N-OH 2.89Å; I34-Y92 VanDerWaalsContact N-OH 3.12Å; I34-Y92 WeakPolarHBondContact O-CD1 3.35Å; I34-Y92 WeakPolarHBondContact O-CE1 3.36Å; I34-I96 HydrophobicContact CD1-CD1 4.42Å; I34-V105 HydrophobicContact CD1-CG1 4.09Å; I34-A107 HydrophobicContact CD1-CB 4.3Å; I34-A107 HydrophobicContact CG2-CB 3.91Å |
| 35 | Q | 85.4 | Confident | 66 | Low | 97 Ų | 97 | 81.5 Ų | 81.5 | 45% | 0.453 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 141.8 | -174.2 | -65.1 | 177.8 | -16.9 | 0 | 0 | 111.1 | P9 L10 C33 | P9-Q35 CarbonylContact C-O 3.52Å; P9-Q35 WeakPolarHBondContact CA-O 3.47Å; P9-Q35 WeakPolarHBondContact CB-O 3.23Å; L10-Q35 PolarHBondContact N-O 3.36Å; L10-Q35 PolarHBondContact O-N 3.44Å; C33-Q35 HydrophobicContact CB-CG 4.39Å |
| 36 | S | 80.3 | Confident | 63.4 | Low | 50 Ų | 50 | 79.9 Ų | 79.9 | 35% | 0.35 | 46% | 0.457 | S | S | . | . | trans | -70.9 | 132.3 | 167.6 | 50.5 | 0 | 0 | 0 | 0 | 109.6 | T38 | S36-T38 PolarHBondContact O-N 3.28Š| ||
| 37 | G | 57.7 | Low | 60.9 | Low | 34 Ų | 34 | 86.9 Ų | 86.9 | 35% | 0.351 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -65.1 | 7.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 38 | T | 52.6 | Low | 58.2 | Low | 96 Ų | 96 | 92 Ų | 92 | 59% | 0.589 | 52% | 0.517 | S | S | * | . | trans | -97.1 | 77.3 | 170.2 | 54.9 | 0 | 0 | 0 | 0 | 109.1 | S36 N40 | S36-T38 PolarHBondContact O-N 3.28Å; T38-N40 PolarHBondContact O-N 2.9Å | ||
| 39 | S | 37.4 | Very low | 55.9 | Low | 107 Ų | 107 | 97.4 Ų | 97.4 | 75% | 0.748 | 54% | 0.543 | S | S | * | . | trans | -81.9 | 103.2 | 171 | -172 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 40 | N | 32.7 | Very low | 53.3 | Low | 157 Ų | 157 | 96.2 Ų | 96.2 | 84% | 0.84 | 55% | 0.546 | S | S | * | . | trans | -145.1 | 100.7 | 139.6 | -95 | -18.4 | 0 | 0 | 0 | 107.6 | T38 | T38-N40 PolarHBondContact O-N 2.9Š| ||
| 41 | H | 36.4 | Very low | 50.8 | Low | 139 Ų | 139 | 100.4 Ų | 100.4 | 64% | 0.644 | 58% | 0.576 | S | S | * | * | trans | 54.5 | 98.5 | 147.9 | -144.3 | -80.7 | 0 | 0 | 0 | 118.5 | Q43 | H41-Q43 PolarHBondContact CE1-OE1 3.01Š| ||
| 42 | I | 32.4 | Very low | 48.1 | Very low | 153 Ų | 153 | 101.7 Ų | 101.7 | 79% | 0.785 | 60% | 0.597 | S | S | * | * | trans | -137.8 | 96.1 | 139.5 | -57.1 | -177.6 | 0 | 0 | 0 | 107.2 | ||||
| 43 | Q | 29.4 | Very low | 45.4 | Very low | 143 Ų | 143 | 108.8 Ų | 108.8 | 67% | 0.668 | 64% | 0.64 | S | S | * | * | trans | -59.3 | 145.9 | 154.2 | -71.9 | 178.8 | -52.1 | 0 | 0 | 108.4 | H41 A45 | H41-Q43 PolarHBondContact CE1-OE1 3.01Å; Q43-A45 PolarHBondContact O-N 3.41Å; Q43-A45 VanDerWaalsContact O-N 3.09Å | ||
| 44 | P | 32.7 | Very low | 43.2 | Very low | 128 Ų | 128 | 113.1 Ų | 113.1 | 83% | 0.831 | 67% | 0.671 | S | S | * | * | trans | -64 | 114.7 | 169.2 | 26.4 | -29.8 | 0 | 0 | 0 | 108.2 | S46 | P44-S46 PolarHBondContact O-N 2.74Š| ||
| 45 | A | 30 | Very low | 40.4 | Very low | 93 Ų | 93 | 120.4 Ų | 120.4 | 77% | 0.769 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 118.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | Q43 | Q43-A45 PolarHBondContact O-N 3.41Å; Q43-A45 VanDerWaalsContact O-N 3.09Å |
| 46 | S | 31 | Very low | 38.4 | Very low | 120 Ų | 120 | 121.9 Ų | 121.9 | 84% | 0.839 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 137.6 | 170.2 | -165.1 | 0 | 0 | 0 | 0 | 109.6 | P44 H48 | P44-S46 PolarHBondContact O-N 2.74Å; S46-H48 PolarHBondContact O-N 3.17Å |
| 47 | N | 34.1 | Very low | 36 | Very low | 154 Ų | 154 | 122.5 Ų | 122.5 | 82% | 0.824 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -58 | 118.2 | -179.1 | -71 | -36.8 | 0 | 0 | 0 | 111 | ||
| 48 | H | 32.6 | Very low | 35.2 | Very low | 152 Ų | 152 | 126.7 Ų | 126.7 | 70% | 0.704 | 76% | 0.763 | S | S | * | * | trans | -104.4 | 108.2 | 154.7 | -162.9 | -83 | 0 | 0 | 0 | 108.4 | S46 Q50 | S46-H48 PolarHBondContact O-N 3.17Å; H48-Q50 PolarHBondContact O-N 3.49Å | ||
| 49 | I | 39.9 | Very low | 34.8 | Very low | 142 Ų | 142 | 128.3 Ų | 128.3 | 73% | 0.728 | 78% | 0.775 | S | S | * | * | trans | -63.8 | 123 | 168.8 | -63.3 | 167.4 | 0 | 0 | 0 | 107.4 | ||||
| 50 | Q | 33.7 | Very low | 34.7 | Very low | 169 Ų | 169 | 126.6 Ų | 126.6 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | -153.3 | 136.2 | 148.9 | -113.5 | 163 | 20.5 | 0 | 0 | 111.5 | H48 | H48-Q50 PolarHBondContact O-N 3.49Š| ||
| 51 | S | 32.9 | Very low | 34.9 | Very low | 112 Ų | 112 | 125.5 Ų | 125.5 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | trans | -77.7 | 151.5 | -163.7 | -43.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 52 | G | 30.3 | Very low | 35.1 | Very low | 67 Ų | 67 | 124.1 Ų | 124.1 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | trans | 70.6 | 109.4 | 141.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 53 | T | 33.5 | Very low | 35.1 | Very low | 149 Ų | 149 | 118.5 Ų | 118.5 | 91% | 0.914 | 76% | 0.756 | S | S | * | * | 167.1 | 139.3 | 108.9 | 35.6 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 54 | S | 41.2 | Very low | 35.9 | Very low | 110 Ų | 110 | 116.8 Ų | 116.8 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | trans | -70.1 | 125.9 | -179.6 | 48.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 55 | N | 33.2 | Very low | 36.8 | Very low | 156 Ų | 156 | 116.3 Ų | 116.3 | 83% | 0.834 | 76% | 0.755 | S | S | * | * | trans | -152.5 | 146.5 | 150.6 | -92.1 | -40.7 | 0 | 0 | 0 | 110.1 | G57 | N55-G57 PolarHBondContact O-N 3.3Š| ||
| 56 | P | 41.8 | Very low | 38.5 | Very low | 128 Ų | 128 | 112.8 Ų | 112.8 | 83% | 0.831 | 73% | 0.728 | S | S | * | * | trans | -75.4 | 114.5 | -178 | 30.4 | -30.6 | 0 | 0 | 0 | 109.7 | ||||
| 57 | G | 30.4 | Very low | 40.9 | Very low | 64 Ų | 64 | 109.2 Ų | 109.2 | 66% | 0.66 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 158.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114 | N55 | N55-G57 PolarHBondContact O-N 3.3Š|
| 58 | P | 41.5 | Very low | 43.5 | Very low | 121 Ų | 121 | 105.4 Ų | 105.4 | 79% | 0.786 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -68 | 163.8 | -177.5 | 30.3 | -34.5 | 0 | 0 | 0 | 112.5 | G60 | P58-G60 PolarHBondContact O-N 3.12Š|
| 59 | P | 44 | Very low | 46.3 | Very low | 130 Ų | 130 | 98.9 Ų | 98.9 | 84% | 0.844 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -60 | 125.5 | -170.1 | 22.7 | -32.4 | 0 | 0 | 0 | 112.5 | V61 | P59-V61 PolarHBondContact O-N 3.36Š|
| 60 | G | 34.5 | Very low | 48.7 | Very low | 72 Ų | 72 | 93.3 Ų | 93.3 | 74% | 0.742 | 62% | 0.62 | S | S | * | * | trans | -5.7 | 99.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | P58 P62 | P58-G60 PolarHBondContact O-N 3.12Å; G60-P62 WeakPolarHBondContact O-CD 3.39Å | ||
| 61 | V | 37 | Very low | 51.5 | Low | 133 Ų | 133 | 85.4 Ų | 85.4 | 81% | 0.806 | 58% | 0.583 | S | S | * | * | trans | -60 | 123 | 154.6 | -178.4 | 0 | 0 | 0 | 0 | 107.5 | P59 G63 | P59-V61 PolarHBondContact O-N 3.36Å; V61-G63 PolarHBondContact O-N 2.92Å | ||
| 62 | P | 41.9 | Very low | 54.4 | Low | 111 Ų | 111 | 80.1 Ų | 80.1 | 72% | 0.721 | 55% | 0.546 | S | S | * | . | trans | -60.7 | 115.2 | 175.1 | -18.3 | 29.6 | 0 | 0 | 0 | 109 | G60 | G60-P62 WeakPolarHBondContact O-CD 3.39Š| ||
| 63 | G | 32.4 | Very low | 57.3 | Low | 34 Ų | 34 | 78.7 Ų | 78.7 | 35% | 0.351 | 52% | 0.523 | S | S | . | . | trans | -54.1 | 157.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | V61 | V61-G63 PolarHBondContact O-N 2.92Š| ||
| 64 | P | 44.7 | Very low | 59.7 | Low | 108 Ų | 108 | 76.9 Ų | 76.9 | 70% | 0.701 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -53.9 | 156.3 | -176.1 | 18.5 | -29.4 | 0 | 0 | 0 | 113.2 | G66 | P64-G66 PolarHBondContact O-N 2.87Š|
| 65 | P | 53.2 | Low | 61.7 | Low | 118 Ų | 118 | 72.5 Ų | 72.5 | 77% | 0.766 | 48% | 0.479 | S | S | * | . | trans | -57.1 | 109.8 | -148.6 | 20.7 | -32.7 | 0 | 0 | 0 | 112.9 | V67 | P65-V67 VanDerWaalsContact C-N 3.33Å; P65-V67 PolarHBondContact O-N 2.85Å | ||
| 66 | G | 65.2 | Low | 64.2 | Low | 19 Ų | 19 | 67 Ų | 67 | 20% | 0.196 | 45% | 0.453 | C | S | . | . | trans | -72.8 | 79.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | P64 T111 R112 | P64-G66 PolarHBondContact O-N 2.87Å; G66-T111 CarbonylContact O-C 3.16Å; G66-T111 WeakPolarHBondContact O-CA 3.36Å; G66-R112 PolarHBondContact O-N 3.5Å; G66-R112 VanDerWaalsContact O-N 3.07Å | ||
| 67 | V | 81.3 | Confident | 66.3 | Low | 45 Ų | 45 | 68 Ų | 68 | 27% | 0.273 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 118.4 | 167.9 | -176 | 0 | 0 | 0 | 0 | 108.8 | P65 A109 V110 T111 | P65-V67 VanDerWaalsContact C-N 3.33Å; P65-V67 PolarHBondContact O-N 2.85Å; V67-A109 HydrophobicContact CG1-CB 3.71Å; V67-V110 CarbonylContact C-O 3.49Å; V67-V110 WeakPolarHBondContact CA-O 3.21Å; V67-T111 HydrophobicContact CG2-CG2 3.82Å |
| 68 | L | 88.3 | Confident | 69.1 | Low | 74 Ų | 74 | 65.3 Ų | 65.3 | 39% | 0.387 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 136.7 | 171.1 | -58.7 | -174.3 | 0 | 0 | 0 | 109.4 | F70 A109 V110 | L68-F70 HydrophobicContact CB-CD2 4.47Å; L68-F70 HydrophobicContact CB-CE2 3.76Å; L68-F70 HydrophobicContact CB-CZ 4.3Å; L68-F70 HydrophobicContact CD1-CE2 4.43Å; L68-F70 HydrophobicContact CD1-CZ 4.28Å; L68-A109 CarbonylContact O-C 3.58Å; L68-V110 PolarHBondContact N-O 2.89Å; L68-V110 PolarHBondContact O-N 2.97Å |
| 69 | I | 90.6 | Very high | 71 | Confident | 15 Ų | 15 | 62.5 Ų | 62.5 | 8% | 0.077 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 131 | 174.4 | -62.8 | 171.1 | 0 | 0 | 0 | 108.6 | P9 I34 Y92 A107 V108 A109 | P9-I69 HydrophobicContact CB-CD1 4.2Å; P9-I69 HydrophobicContact CB-CG2 4.49Å; I34-I69 HydrophobicContact CB-CG2 4.47Å; I34-I69 HydrophobicContact CG2-CD1 4.34Å; I34-I69 HydrophobicContact CG2-CG2 3.72Å; I69-Y92 PolarHBondContact O-N 2.8Å; I69-A107 HydrophobicContact CG2-CB 4.27Å; I69-V108 WeakPolarHBondContact CA-O 3.33Å; I69-A109 HydrophobicContact CG1-CB 4.31Å |
| 70 | F | 91.8 | Very high | 72.2 | Confident | 24 Ų | 24 | 57.1 Ų | 57.1 | 11% | 0.105 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 138.7 | 173.7 | -64.6 | -91.6 | 0 | 0 | 0 | 109.5 | L68 P78 A80 R90 K91 A107 V108 V110 | L68-F70 HydrophobicContact CB-CD2 4.47Å; L68-F70 HydrophobicContact CB-CE2 3.76Å; L68-F70 HydrophobicContact CB-CZ 4.3Å; L68-F70 HydrophobicContact CD1-CE2 4.43Å; L68-F70 HydrophobicContact CD1-CZ 4.28Å; F70-P78 HydrophobicContact CB-CB 4.22Å; F70-A80 HydrophobicContact CD2-CB 3.65Å; F70-A80 HydrophobicContact CE2-CB 3.64Å; F70-A80 HydrophobicContact CG-CB 4.24Å; F70-A80 HydrophobicContact CZ-CB 4.23Å; F70-R90 CarbonylContact C-O 3.51Å; F70-R90 WeakPolarHBondContact CA-O 3.38Å; F70-K91 HydrophobicContact CD1-CB 4.43Å; F70-K91 HydrophobicContact CE1-CB 4.29Å; F70-A107 CarbonylContact O-C 3.57Å; F70-A107 VanDerWaalsContact O-CA 3.23Å; F70-A107 WeakPolarHBondContact O-CA 3.02Å; F70-V108 HydrophobicContact CB-CG1 4.09Å; F70-V108 PolarHBondContact N-O 2.88Å; F70-V108 PolarHBondContact O-N 2.96Å; F70-V110 HydrophobicContact CD2-CB 4.46Å; F70-V110 HydrophobicContact CD2-CG2 4.12Å; F70-V110 HydrophobicContact CE2-CB 4.32Å; F70-V110 HydrophobicContact CE2-CG2 4.4Å |
| 71 | F | 92.9 | Very high | 73.5 | Confident | 3 Ų | 3 | 55.1 Ų | 55.1 | 1% | 0.013 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 163.3 | -176.4 | 76.9 | -82.7 | 0 | 0 | 0 | 113.6 | I34 L73 S89 R90 Y92 I96 R106 A107 | I34-F71 HydrophobicContact CD1-CB 3.7Å; I34-F71 HydrophobicContact CD1-CD1 4.12Å; I34-F71 HydrophobicContact CD1-CD2 4.23Å; I34-F71 HydrophobicContact CD1-CG 3.76Å; F71-L73 HydrophobicContact CD2-CD2 4.05Å; F71-L73 HydrophobicContact CD2-CG 4.4Å; F71-L73 HydrophobicContact CE2-CD2 3.98Å; F71-L73 HydrophobicContact CE2-CG 4.11Å; F71-S89 WeakPolarHBondContact O-CA 3.43Å; F71-R90 HydrophobicContact CD1-CB 4.07Å; F71-R90 WeakPolarHBondContact CD1-O 3.42Å; F71-R90 HydrophobicContact CE1-CB 3.58Å; F71-R90 HydrophobicContact CE2-CB 4.22Å; F71-R90 HydrophobicContact CZ-CB 3.67Å; F71-R90 HydrophobicContact CZ-CG 4.47Å; F71-R90 PolarHBondContact N-O 2.81Å; F71-R90 PolarHBondContact O-N 2.88Å; F71-Y92 HydrophobicContact CD1-CD2 4.35Å; F71-Y92 HydrophobicContact CE1-CD2 4.28Å; F71-I96 HydrophobicContact CD2-CD1 3.9Å; F71-I96 HydrophobicContact CE2-CD1 3.39Å; F71-I96 HydrophobicContact CZ-CD1 3.84Å; F71-I96 HydrophobicContact CZ-CG2 3.95Å; F71-R106 CarbonylContact C-O 3.55Å; F71-R106 WeakPolarHBondContact CA-O 3.37Å; F71-R106 VanDerWaalsContact CB-O 3.22Å; F71-R106 WeakPolarHBondContact CB-O 3.23Å; F71-A107 HydrophobicContact CB-CB 4.04Å |
| 72 | T | 92.3 | Very high | 74.2 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.006 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 157.4 | 175.5 | 64.6 | 0 | 0 | 0 | 0 | 109 | D74 S76 P78 G88 V105 R106 | T72-D74 WeakPolarHBondContact CB-OD1 3.16Å; T72-S76 WeakPolarHBondContact CG2-OG 3.4Å; T72-S76 PolarHBondContact OG1-O 2.76Å; T72-P78 HydrophobicContact CG2-CB 4.01Å; T72-G88 WeakPolarHBondContact CG2-O 3.18Å; T72-V105 WeakPolarHBondContact O-CA 3.45Å; T72-R106 PolarHBondContact N-O 2.81Å; T72-R106 PolarHBondContact O-N 2.86Å |
| 73 | L | 92.4 | Very high | 74.4 | Confident | 38 Ų | 38 | 64.6 Ų | 64.6 | 20% | 0.199 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -114.3 | -13.2 | 180 | -62.4 | -175.1 | 0 | 0 | 0 | 113.8 | F71 I96 L98 V103 S104 V105 | F71-L73 HydrophobicContact CD2-CD2 4.05Å; F71-L73 HydrophobicContact CD2-CG 4.4Å; F71-L73 HydrophobicContact CE2-CD2 3.98Å; F71-L73 HydrophobicContact CE2-CG 4.11Å; L73-I96 HydrophobicContact CD2-CD1 4.06Å; L73-L98 HydrophobicContact CD1-CD2 4.41Å; L73-L98 HydrophobicContact CD2-CD2 3.72Å; L73-V103 HydrophobicContact CB-CG1 4.15Å; L73-V103 HydrophobicContact CD2-CG1 4.23Å; L73-S104 CarbonylContact C-O 3.55Å; L73-S104 WeakPolarHBondContact CA-O 3.44Å; L73-S104 PolarHBondContact O-N 2.84Å; L73-S104 VanDerWaalsContact O-O 3.1Å; L73-V105 HydrophobicContact CD2-CB 4.43Å; L73-V105 HydrophobicContact CD2-CG1 4.3Å; L73-V105 HydrophobicContact CD2-CG2 3.79Å |
| 74 | D | 83.9 | Confident | 75.2 | Confident | 111 Ų | 111 | 66.5 Ų | 66.5 | 59% | 0.594 | 38% | 0.377 | S | S | * | . | B | Isolated β-bridge | trans | -90.9 | -3.7 | -178.9 | 64.5 | -17.5 | 0 | 0 | 0 | 112.9 | T72 S76 | T72-D74 WeakPolarHBondContact CB-OD1 3.16Å; D74-S76 VanDerWaalsContact C-N 3.34Å; D74-S76 VanDerWaalsContact CG-OG 3.29Å; D74-S76 WeakPolarHBondContact OD1-CB 3.32Å; D74-S76 PolarHBondContact OD1-N 2.76Å; D74-S76 PolarHBondContact OD1-OG 2.78Å; D74-S76 WeakPolarHBondContact OD2-CB 3.38Å; D74-S76 PolarHBondContact OD2-OG 2.91Å |
| 75 | G | 81.6 | Confident | 75.6 | Confident | 17 Ų | 17 | 66.4 Ų | 66.4 | 18% | 0.175 | 38% | 0.379 | C | S | . | . | S | Bend | trans | 82.1 | 5.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | S104 R106 | G75-S104 PolarHBondContact N-O 2.91Å; G75-R106 VanDerWaalsContact O-CD 3.24Å; G75-R106 WeakPolarHBondContact O-CD 3.22Å; G75-R106 PolarHBondContact O-NE 3.29Å; G75-R106 PolarHBondContact O-NH1 2.79Å |
| 76 | S | 85.6 | Confident | 75.6 | Confident | 41 Ų | 41 | 65.4 Ų | 65.4 | 29% | 0.287 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 158.2 | 168.8 | 65.7 | 0 | 0 | 0 | 0 | 111.1 | T72 D74 R106 | T72-S76 WeakPolarHBondContact CG2-OG 3.4Å; T72-S76 PolarHBondContact OG1-O 2.76Å; D74-S76 VanDerWaalsContact C-N 3.34Å; D74-S76 VanDerWaalsContact CG-OG 3.29Å; D74-S76 WeakPolarHBondContact OD1-CB 3.32Å; D74-S76 PolarHBondContact OD1-N 2.76Å; D74-S76 PolarHBondContact OD1-OG 2.78Å; D74-S76 WeakPolarHBondContact OD2-CB 3.38Å; D74-S76 PolarHBondContact OD2-OG 2.91Å; S76-R106 WeakPolarHBondContact O-CD 3.36Å |
| 77 | K | 87.7 | Confident | 75.5 | Confident | 150 Ų | 150 | 71.7 Ų | 71.7 | 65% | 0.652 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -74.7 | 125.2 | 177.9 | -176.3 | 178.7 | 177.9 | -178.9 | 0 | 108.9 | V79 V119 | K77-V79 PolarHBondContact O-N 2.8Å; K77-V119 HydrophobicContact CG-CG2 4.19Å |
| 78 | P | 87.6 | Confident | 74.8 | Confident | 6 Ų | 6 | 71.2 Ų | 71.2 | 4% | 0.039 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 132.5 | 177.2 | 25.1 | -32.5 | 0 | 0 | 0 | 110.5 | F70 T72 S89 V108 V119 | F70-P78 HydrophobicContact CB-CB 4.22Å; T72-P78 HydrophobicContact CG2-CB 4.01Å; P78-S89 WeakPolarHBondContact CA-OG 3.39Å; P78-S89 WeakPolarHBondContact CB-OG 3Å; P78-V108 HydrophobicContact CB-CG1 3.91Å; P78-V108 HydrophobicContact CG-CB 4.01Å; P78-V108 HydrophobicContact CG-CG1 3.67Å; P78-V119 HydrophobicContact CG-CG1 4.2Å; P78-V119 HydrophobicContact CG-CG2 4.49Å |
| 79 | V | 82.6 | Confident | 74.7 | Confident | 62 Ų | 62 | 68.5 Ų | 68.5 | 38% | 0.376 | 39% | 0.39 | S | S | . | . | trans | -109.4 | 129.8 | 177.2 | -170 | 0 | 0 | 0 | 0 | 108.6 | K77 E86 S89 | K77-V79 PolarHBondContact O-N 2.8Å; V79-E86 WeakPolarHBondContact CB-OE2 3.25Å; V79-E86 WeakPolarHBondContact CG1-OE2 3.2Å; V79-S89 PolarHBondContact N-OG 3.05Å; V79-S89 PolarHBondContact O-OG 3.05Å | ||
| 80 | A | 67.9 | Low | 74.5 | Confident | 18 Ų | 18 | 73.8 Ų | 73.8 | 15% | 0.149 | 41% | 0.409 | C | S | . | . | trans | -93.9 | 102 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | F70 V110 R116 | F70-A80 HydrophobicContact CD2-CB 3.65Å; F70-A80 HydrophobicContact CE2-CB 3.64Å; F70-A80 HydrophobicContact CG-CB 4.24Å; F70-A80 HydrophobicContact CZ-CB 4.23Å; A80-V110 HydrophobicContact CB-CB 4.29Å; A80-V110 HydrophobicContact CB-CG1 4.26Å; A80-V110 HydrophobicContact CB-CG2 3.59Å; A80-R116 PolarHBondContact O-NH2 2.78Å | ||
| 81 | G | 62.4 | Low | 74.4 | Confident | 30 Ų | 30 | 78.1 Ų | 78.1 | 31% | 0.309 | 43% | 0.427 | S | S | . | . | trans | -114.9 | 140.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 82 | Q | 52.5 | Low | 74.3 | Confident | 198 Ų | 198 | 79.8 Ų | 79.8 | 93% | 0.925 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -81.8 | 129.3 | 163.3 | -73.1 | -150.3 | -4.6 | 0 | 0 | 108.6 | ||
| 83 | R | 46.1 | Very low | 74 | Confident | 244 Ų | 244 | 86 Ų | 86 | 92% | 0.921 | 47% | 0.472 | S | S | * | . | S | Bend | trans | 74 | 109.6 | -174.5 | -71.2 | -179.8 | 166.7 | -170.7 | -4.3 | 115.6 | ||
| 84 | G | 48.3 | Very low | 73.7 | Confident | 74 Ų | 74 | 85.2 Ų | 85.2 | 76% | 0.763 | 47% | 0.473 | S | S | * | . | S | Bend | trans | 72.2 | 81.1 | 142.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | E86 | G84-E86 PolarHBondContact O-N 3.02Š|
| 85 | S | 52.6 | Low | 73.9 | Confident | 106 Ų | 106 | 83.8 Ų | 83.8 | 74% | 0.741 | 47% | 0.47 | S | S | * | . | trans | 47.2 | 68 | 150.7 | -168.7 | 0 | 0 | 0 | 0 | 115.4 | V87 | S85-V87 PolarHBondContact O-N 3.31Å; S85-V87 VanDerWaalsContact O-N 3.16Å | ||
| 86 | E | 54 | Low | 74.4 | Confident | 97 Ų | 97 | 83.8 Ų | 83.8 | 45% | 0.453 | 47% | 0.465 | S | S | . | . | trans | -61.6 | 117.2 | 157.5 | -67.5 | -168.6 | -169.7 | 0 | 0 | 108 | V79 G84 G88 S89 | V79-E86 WeakPolarHBondContact CB-OE2 3.25Å; V79-E86 WeakPolarHBondContact CG1-OE2 3.2Å; G84-E86 PolarHBondContact O-N 3.02Å; E86-G88 PolarHBondContact O-N 2.86Å; E86-S89 PolarHBondContact O-N 3.25Å | ||
| 87 | V | 62.6 | Low | 74.7 | Confident | 151 Ų | 151 | 87 Ų | 87 | 92% | 0.915 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.7 | 109.7 | -169.2 | 177.8 | 0 | 0 | 0 | 0 | 110.4 | S85 | S85-V87 PolarHBondContact O-N 3.31Å; S85-V87 VanDerWaalsContact O-N 3.16Å |
| 88 | G | 67.8 | Low | 74.9 | Confident | 35 Ų | 35 | 80.1 Ų | 80.1 | 36% | 0.361 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 109.8 | -26.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | T72 E86 | T72-G88 WeakPolarHBondContact CG2-O 3.18Å; E86-G88 PolarHBondContact O-N 2.86Å |
| 89 | S | 84.9 | Confident | 75 | Confident | 18 Ų | 18 | 83.5 Ų | 83.5 | 13% | 0.126 | 47% | 0.471 | C | S | . | . | trans | -97 | 123.5 | -179.9 | -155.3 | 0 | 0 | 0 | 0 | 113.1 | F71 P78 V79 E86 | F71-S89 WeakPolarHBondContact O-CA 3.43Å; P78-S89 WeakPolarHBondContact CA-OG 3.39Å; P78-S89 WeakPolarHBondContact CB-OG 3Å; V79-S89 PolarHBondContact N-OG 3.05Å; V79-S89 PolarHBondContact O-OG 3.05Å; E86-S89 PolarHBondContact O-N 3.25Å | ||
| 90 | R | 88.1 | Confident | 75.4 | Confident | 126 Ų | 126 | 82.4 Ų | 82.4 | 48% | 0.475 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 138.2 | -175.1 | -63.4 | 169.1 | 67.5 | -166.4 | 1.6 | 110 | F70 F71 | F70-R90 CarbonylContact C-O 3.51Å; F70-R90 WeakPolarHBondContact CA-O 3.38Å; F71-R90 HydrophobicContact CD1-CB 4.07Å; F71-R90 WeakPolarHBondContact CD1-O 3.42Å; F71-R90 HydrophobicContact CE1-CB 3.58Å; F71-R90 HydrophobicContact CE2-CB 4.22Å; F71-R90 HydrophobicContact CZ-CB 3.67Å; F71-R90 HydrophobicContact CZ-CG 4.47Å; F71-R90 PolarHBondContact N-O 2.81Å; F71-R90 PolarHBondContact O-N 2.88Å |
| 91 | K | 89.5 | Confident | 76.3 | Confident | 114 Ų | 114 | 83.4 Ų | 83.4 | 50% | 0.496 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 130.2 | 169.2 | -173.8 | -177.4 | -179.6 | -176.5 | 0 | 109.2 | F70 | F70-K91 HydrophobicContact CD1-CB 4.43Å; F70-K91 HydrophobicContact CE1-CB 4.29Å |
| 92 | Y | 89.4 | Confident | 77.7 | Confident | 39 Ų | 39 | 91.3 Ų | 91.3 | 15% | 0.153 | 50% | 0.501 | C | S | . | . | trans | -75.6 | 125.9 | 174.6 | -175.3 | -103.3 | 0 | 0 | 0 | 110.3 | C33 I34 I69 F71 G94 I96 | C33-Y92 WeakPolarHBondContact CA-OH 3.16Å; I34-Y92 HydrophobicContact CB-CD1 4.28Å; I34-Y92 HydrophobicContact CB-CD2 3.81Å; I34-Y92 HydrophobicContact CB-CE1 4.24Å; I34-Y92 HydrophobicContact CB-CE2 3.74Å; I34-Y92 HydrophobicContact CB-CG 4.08Å; I34-Y92 HydrophobicContact CD1-CD2 3.76Å; I34-Y92 HydrophobicContact CD1-CE2 4.15Å; I34-Y92 HydrophobicContact CD1-CG 4.46Å; I34-Y92 HydrophobicContact CG1-CD2 3.81Å; I34-Y92 HydrophobicContact CG1-CE2 3.72Å; I34-Y92 VanDerWaalsContact N-CZ 3.26Å; I34-Y92 PolarHBondContact N-OH 2.89Å; I34-Y92 VanDerWaalsContact N-OH 3.12Å; I34-Y92 WeakPolarHBondContact O-CD1 3.35Å; I34-Y92 WeakPolarHBondContact O-CE1 3.36Å; I69-Y92 PolarHBondContact O-N 2.8Å; F71-Y92 HydrophobicContact CD1-CD2 4.35Å; F71-Y92 HydrophobicContact CE1-CD2 4.28Å; Y92-G94 WeakPolarHBondContact CE2-O 3.32Å; Y92-G94 VanDerWaalsContact CZ-C 3.42Å; Y92-G94 VanDerWaalsContact OH-C 3.24Å; Y92-G94 PolarHBondContact OH-O 2.85Å; Y92-I96 HydrophobicContact CE2-CG2 4.49Å | ||
| 93 | T | 86.4 | Confident | 79.5 | Confident | 132 Ų | 132 | 82.2 Ų | 82.2 | 81% | 0.81 | 46% | 0.459 | S | S | * | . | trans | -125 | -7.6 | 179.7 | 55.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 94 | G | 86 | Confident | 81.8 | Confident | 20 Ų | 20 | 71.8 Ų | 71.8 | 21% | 0.206 | 42% | 0.424 | C | S | . | . | S | Bend | trans | 164 | 179 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y92 | Y92-G94 WeakPolarHBondContact CE2-O 3.32Å; Y92-G94 VanDerWaalsContact CZ-C 3.42Å; Y92-G94 VanDerWaalsContact OH-C 3.24Å; Y92-G94 PolarHBondContact OH-O 2.85Å |
| 95 | P | 88.7 | Confident | 84 | Confident | 82 Ų | 82 | 68.3 Ų | 68.3 | 53% | 0.532 | 39% | 0.387 | S | S | . | . | trans | -49.6 | 138.9 | 179.2 | -27.6 | 35.2 | 0 | 0 | 0 | 113.3 | I14 P31 V32 | I14-P95 HydrophobicContact CD1-CB 3.85Å; I14-P95 HydrophobicContact CD1-CG 3.75Å; P31-P95 HydrophobicContact CB-CB 3.88Å; V32-P95 WeakPolarHBondContact O-CA 3.47Å | ||
| 96 | I | 91.9 | Very high | 86 | Confident | 16 Ų | 16 | 67.4 Ų | 67.4 | 8% | 0.082 | 37% | 0.368 | C | S | . | . | B | Isolated β-bridge | trans | -119.1 | 140.9 | -179.4 | 61.7 | 176.8 | 0 | 0 | 0 | 111.4 | V32 I34 F71 L73 Y92 L98 | V32-I96 HydrophobicContact CB-CG1 4.2Å; V32-I96 PolarHBondContact N-O 3.07Å; V32-I96 PolarHBondContact O-N 2.81Å; I34-I96 HydrophobicContact CD1-CD1 4.42Å; F71-I96 HydrophobicContact CD2-CD1 3.9Å; F71-I96 HydrophobicContact CE2-CD1 3.39Å; F71-I96 HydrophobicContact CZ-CD1 3.84Å; F71-I96 HydrophobicContact CZ-CG2 3.95Å; L73-I96 HydrophobicContact CD2-CD1 4.06Å; Y92-I96 HydrophobicContact CE2-CG2 4.49Å; I96-L98 HydrophobicContact CD1-CD2 4.04Å; I96-L98 HydrophobicContact CG1-CD2 4.17Å |
| 97 | L | 91.4 | Very high | 87.9 | Confident | 109 Ų | 109 | 62.8 Ų | 62.8 | 57% | 0.571 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -84.9 | 141.6 | 167.3 | -62.4 | 177.8 | 0 | 0 | 0 | 109.6 | P31 | P31-L97 HydrophobicContact CB-CD2 4.44Š|
| 98 | L | 92.8 | Very high | 89.3 | Confident | 6 Ų | 6 | 55.9 Ų | 55.9 | 3% | 0.031 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -100.8 | 141.6 | 178.4 | -59.2 | -166.7 | 0 | 0 | 0 | 110.2 | I26 V32 L73 I96 V103 V105 F124 V126 | I26-L98 HydrophobicContact CD1-CD1 3.92Å; I26-L98 HydrophobicContact CD1-CG 4.31Å; V32-L98 HydrophobicContact CG2-CD1 3.88Å; V32-L98 HydrophobicContact CG2-CG 3.93Å; L73-L98 HydrophobicContact CD1-CD2 4.41Å; L73-L98 HydrophobicContact CD2-CD2 3.72Å; I96-L98 HydrophobicContact CD1-CD2 4.04Å; I96-L98 HydrophobicContact CG1-CD2 4.17Å; L98-V103 HydrophobicContact CB-CG1 4.44Å; L98-V103 HydrophobicContact CB-CG2 4.34Å; L98-V103 HydrophobicContact CD1-CB 4.25Å; L98-V103 HydrophobicContact CD1-CG1 4.12Å; L98-V103 HydrophobicContact CD2-CG1 4.26Å; L98-V105 HydrophobicContact CD1-CG2 3.85Å; L98-V105 HydrophobicContact CD2-CG2 4.01Å; L98-F124 HydrophobicContact CD1-CB 3.85Å; L98-F124 HydrophobicContact CD1-CD2 3.42Å; L98-F124 VanDerWaalsContact CD1-CD2 3.42Å; L98-F124 HydrophobicContact CD1-CE2 4.06Å; L98-F124 HydrophobicContact CD1-CG 3.74Å; L98-V126 HydrophobicContact CB-CG2 3.79Å; L98-V126 HydrophobicContact CD1-CG2 4.31Å |
| 99 | P | 89.5 | Confident | 90.4 | Very high | 77 Ų | 77 | 54.2 Ų | 54.2 | 50% | 0.5 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 156 | 173.9 | 28 | -33.8 | 0 | 0 | 0 | 110.7 | V103 V126 | P99-V103 HydrophobicContact CG-CG2 3.77Å; P99-V103 WeakPolarHBondContact O-CG2 3.44Å; P99-V126 VanDerWaalsContact O-CB 3.25Å; P99-V126 WeakPolarHBondContact O-CB 3.32Å; P99-V126 WeakPolarHBondContact O-CG1 3.43Å; P99-V126 WeakPolarHBondContact O-CG2 3.42Å |
| 100 | A | 89.8 | Confident | 90.6 | Very high | 39 Ų | 39 | 54 Ų | 54 | 32% | 0.322 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -59.7 | 151 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | T28 Q128 | T28-A100 HydrophobicContact CG2-CB 3.81Å; A100-Q128 HydrophobicContact CB-CG 3.6Å |
| 101 | G | 88.8 | Confident | 90.5 | Very high | 38 Ų | 38 | 49.4 Ų | 49.4 | 39% | 0.392 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 97.6 | -158.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | V126 | G101-V126 PolarHBondContact N-O 2.76Å; G101-V126 PolarHBondContact O-N 3.29Å |
| 102 | R | 90.9 | Very high | 90.1 | Very high | 196 Ų | 196 | 52.6 Ų | 52.6 | 74% | 0.74 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 111 | -176.4 | -176 | 172.9 | 172.7 | -108.3 | 0.8 | 110.2 | V123 F124 | R102-V123 HydrophobicContact CG-CG1 3.86Å; R102-F124 CarbonylContact C-O 3.54Å; R102-F124 WeakPolarHBondContact CA-O 3.36Å |
| 103 | V | 90.8 | Very high | 89.7 | Confident | 7 Ų | 7 | 55.3 Ų | 55.3 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 133.6 | -175.3 | -175.4 | 0 | 0 | 0 | 0 | 110.5 | L73 L98 P99 V105 V123 F124 V126 | L73-V103 HydrophobicContact CB-CG1 4.15Å; L73-V103 HydrophobicContact CD2-CG1 4.23Å; L98-V103 HydrophobicContact CB-CG1 4.44Å; L98-V103 HydrophobicContact CB-CG2 4.34Å; L98-V103 HydrophobicContact CD1-CB 4.25Å; L98-V103 HydrophobicContact CD1-CG1 4.12Å; L98-V103 HydrophobicContact CD2-CG1 4.26Å; P99-V103 HydrophobicContact CG-CG2 3.77Å; P99-V103 WeakPolarHBondContact O-CG2 3.44Å; V103-V105 HydrophobicContact CG1-CG2 4.34Å; V103-V123 CarbonylContact O-C 3.56Å; V103-V123 WeakPolarHBondContact O-CA 3.37Å; V103-F124 PolarHBondContact N-O 3.07Å; V103-F124 PolarHBondContact O-N 2.76Å; V103-V126 HydrophobicContact CB-CG2 4.42Å; V103-V126 HydrophobicContact CG2-CG2 3.93Å |
| 104 | S | 93 | Very high | 89.3 | Confident | 26 Ų | 26 | 51.1 Ų | 51.1 | 18% | 0.182 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 100.8 | 178.6 | 176.5 | 0 | 0 | 0 | 0 | 110.2 | L73 G75 R106 | L73-S104 CarbonylContact C-O 3.55Å; L73-S104 WeakPolarHBondContact CA-O 3.44Å; L73-S104 PolarHBondContact O-N 2.84Å; L73-S104 VanDerWaalsContact O-O 3.1Å; G75-S104 PolarHBondContact N-O 2.91Å; S104-R106 PolarHBondContact O-N 2.81Å |
| 105 | V | 94.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 115.8 | 177 | -171.1 | 0 | 0 | 0 | 0 | 109 | I11 I34 T72 L73 L98 V103 T121 K122 F124 | I11-V105 HydrophobicContact CD1-CB 4.01Å; I11-V105 HydrophobicContact CD1-CG1 3.75Å; I11-V105 WeakPolarHBondContact CD1-O 2.82Å; I11-V105 HydrophobicContact CG1-CG1 4.34Å; I11-V105 HydrophobicContact CG2-CB 4.28Å; I11-V105 HydrophobicContact CG2-CG1 4.1Å; I34-V105 HydrophobicContact CD1-CG1 4.09Å; T72-V105 WeakPolarHBondContact O-CA 3.45Å; L73-V105 HydrophobicContact CD2-CB 4.43Å; L73-V105 HydrophobicContact CD2-CG1 4.3Å; L73-V105 HydrophobicContact CD2-CG2 3.79Å; L98-V105 HydrophobicContact CD1-CG2 3.85Å; L98-V105 HydrophobicContact CD2-CG2 4.01Å; V103-V105 HydrophobicContact CG1-CG2 4.34Å; V105-T121 CarbonylContact O-C 3.55Å; V105-T121 WeakPolarHBondContact O-CA 3.4Å; V105-K122 PolarHBondContact N-O 2.99Å; V105-K122 PolarHBondContact O-N 3.28Å; V105-F124 HydrophobicContact CB-CE2 4.46Å; V105-F124 HydrophobicContact CG2-CD2 3.85Å; V105-F124 HydrophobicContact CG2-CE2 3.89Å |
| 106 | R | 94.8 | Very high | 89.1 | Confident | 87 Ų | 87 | 59.8 Ų | 59.8 | 33% | 0.328 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 139.5 | 169.6 | -64.9 | -169.3 | 164.5 | 175 | -5 | 110.4 | F71 T72 G75 S76 S104 V119 V120 T121 | F71-R106 CarbonylContact C-O 3.55Å; F71-R106 WeakPolarHBondContact CA-O 3.37Å; F71-R106 VanDerWaalsContact CB-O 3.22Å; F71-R106 WeakPolarHBondContact CB-O 3.23Å; T72-R106 PolarHBondContact N-O 2.81Å; T72-R106 PolarHBondContact O-N 2.86Å; G75-R106 VanDerWaalsContact O-CD 3.24Å; G75-R106 WeakPolarHBondContact O-CD 3.22Å; G75-R106 PolarHBondContact O-NE 3.29Å; G75-R106 PolarHBondContact O-NH1 2.79Å; S76-R106 WeakPolarHBondContact O-CD 3.36Å; S104-R106 PolarHBondContact O-N 2.81Å; R106-V119 HydrophobicContact CB-CG1 4.09Å; R106-V120 CarbonylContact C-O 3.54Å; R106-V120 WeakPolarHBondContact CA-O 3.49Å; R106-T121 HydrophobicContact CG-CG2 3.89Å; R106-T121 WeakPolarHBondContact CG-OG1 3.42Å; R106-T121 PolarHBondContact NE-OG1 2.85Å; R106-T121 VanDerWaalsContact NE-OG1 3.12Å |
| 107 | A | 93.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 150.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | P9 I11 I34 I69 F70 F71 V119 V120 | P9-A107 HydrophobicContact CG-CB 3.8Å; I11-A107 HydrophobicContact CD1-CB 4.32Å; I34-A107 HydrophobicContact CD1-CB 4.3Å; I34-A107 HydrophobicContact CG2-CB 3.91Å; I69-A107 HydrophobicContact CG2-CB 4.27Å; F70-A107 CarbonylContact O-C 3.57Å; F70-A107 VanDerWaalsContact O-CA 3.23Å; F70-A107 WeakPolarHBondContact O-CA 3.02Å; F71-A107 HydrophobicContact CB-CB 4.04Å; A107-V119 WeakPolarHBondContact O-CA 3.38Å; A107-V120 HydrophobicContact CB-CG1 3.86Å; A107-V120 PolarHBondContact N-O 3.18Å; A107-V120 PolarHBondContact O-N 3.45Å |
| 108 | V | 92.6 | Very high | 89 | Confident | 6 Ų | 6 | 58.3 Ų | 58.3 | 4% | 0.036 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 138.4 | 175 | 66.1 | 0 | 0 | 0 | 0 | 109.9 | I69 F70 P78 V110 R116 S117 V119 | I69-V108 WeakPolarHBondContact CA-O 3.33Å; F70-V108 HydrophobicContact CB-CG1 4.09Å; F70-V108 PolarHBondContact N-O 2.88Å; F70-V108 PolarHBondContact O-N 2.96Å; P78-V108 HydrophobicContact CB-CG1 3.91Å; P78-V108 HydrophobicContact CG-CB 4.01Å; P78-V108 HydrophobicContact CG-CG1 3.67Å; V108-V110 HydrophobicContact CG1-CG2 4.28Å; V108-V110 HydrophobicContact CG2-CG2 4.38Å; V108-R116 HydrophobicContact CG2-CB 4.22Å; V108-S117 WeakPolarHBondContact CG2-O 3.47Å; V108-V119 HydrophobicContact CB-CG2 4.29Å; V108-V119 HydrophobicContact CG2-CG2 4.49Å |
| 109 | A | 91.6 | Very high | 89 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.008 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 135.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | I6 V67 L68 I69 R116 S117 | I6-A109 HydrophobicContact CG2-CB 3.99Å; V67-A109 HydrophobicContact CG1-CB 3.71Å; L68-A109 CarbonylContact O-C 3.58Å; I69-A109 HydrophobicContact CG1-CB 4.31Å; A109-R116 CarbonylContact O-C 3.58Å; A109-R116 WeakPolarHBondContact O-CA 3.43Å; A109-S117 PolarHBondContact N-OG 3.09Å; A109-S117 PolarHBondContact O-N 2.94Å |
| 110 | V | 88.2 | Confident | 89.2 | Confident | 14 Ų | 14 | 58.8 Ų | 58.8 | 9% | 0.085 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 123.8 | -176.9 | -176.6 | 0 | 0 | 0 | 0 | 109.7 | V67 L68 F70 A80 V108 R115 R116 | V67-V110 CarbonylContact C-O 3.49Å; V67-V110 WeakPolarHBondContact CA-O 3.21Å; L68-V110 PolarHBondContact N-O 2.89Å; L68-V110 PolarHBondContact O-N 2.97Å; F70-V110 HydrophobicContact CD2-CB 4.46Å; F70-V110 HydrophobicContact CD2-CG2 4.12Å; F70-V110 HydrophobicContact CE2-CB 4.32Å; F70-V110 HydrophobicContact CE2-CG2 4.4Å; A80-V110 HydrophobicContact CB-CB 4.29Å; A80-V110 HydrophobicContact CB-CG1 4.26Å; A80-V110 HydrophobicContact CB-CG2 3.59Å; V108-V110 HydrophobicContact CG1-CG2 4.28Å; V108-V110 HydrophobicContact CG2-CG2 4.38Å; V110-R115 WeakPolarHBondContact CA-O 3.38Å; V110-R116 HydrophobicContact CG1-CG 4.28Å; V110-R116 HydrophobicContact CG2-CB 4.39Å; V110-R116 HydrophobicContact CG2-CG 3.92Å |
| 111 | T | 86.1 | Confident | 89.4 | Confident | 28 Ų | 28 | 60.1 Ų | 60.1 | 17% | 0.172 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 166.9 | 176.6 | 48.3 | 0 | 0 | 0 | 0 | 111.8 | I6 G66 V67 D113 G114 R115 | I6-T111 HydrophobicContact CD1-CG2 3.41Å; I6-T111 VanDerWaalsContact CD1-CG2 3.41Å; I6-T111 WeakPolarHBondContact CD1-OG1 3.26Å; I6-T111 HydrophobicContact CG1-CG2 3.89Å; G66-T111 CarbonylContact O-C 3.16Å; G66-T111 WeakPolarHBondContact O-CA 3.36Å; V67-T111 HydrophobicContact CG2-CG2 3.82Å; T111-D113 WeakPolarHBondContact CB-OD1 2.99Å; T111-D113 PolarHBondContact O-N 2.83Å; T111-D113 PolarHBondContact OG1-OD1 3.29Å; T111-G114 PolarHBondContact O-N 2.86Å; T111-R115 PolarHBondContact N-O 3.03Å; T111-R115 WeakPolarHBondContact OG1-CB 3.45Å; T111-R115 PolarHBondContact OG1-N 3.27Å; T111-R115 PolarHBondContact OG1-O 2.83Å |
| 112 | R | 82.1 | Confident | 89.6 | Confident | 182 Ų | 182 | 60.1 Ų | 60.1 | 69% | 0.687 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -33.5 | 175.5 | -68.2 | -174.3 | -178.3 | -175.2 | 2.8 | 113.8 | G66 G114 | G66-R112 PolarHBondContact O-N 3.5Å; G66-R112 VanDerWaalsContact O-N 3.07Å; R112-G114 PolarHBondContact O-N 2.06Å |
| 113 | D | 79.3 | Confident | 89.7 | Confident | 95 Ų | 95 | 53.1 Ų | 53.1 | 51% | 0.508 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 8.3 | 176.6 | 66.2 | -38.8 | 0 | 0 | 0 | 113.2 | T111 R115 | T111-D113 WeakPolarHBondContact CB-OD1 2.99Å; T111-D113 PolarHBondContact O-N 2.83Å; T111-D113 PolarHBondContact OG1-OD1 3.29Å; D113-R115 VanDerWaalsContact C-N 3.26Å; D113-R115 PolarHBondContact O-N 3.35Å; D113-R115 WeakPolarHBondContact OD2-CD 3.38Å; D113-R115 WeakPolarHBondContact OD2-CG 3.15Å; D113-R115 IonicContact OD2-CZ 3.36Å; D113-R115 IonicContact OD2-NE 2.85Å; D113-R115 PolarHBondContact OD2-NE 2.82Å; D113-R115 IonicContact OD2-NH2 3.76Å |
| 114 | G | 78.9 | Confident | 89.7 | Confident | 45 Ų | 45 | 52.8 Ų | 52.8 | 46% | 0.464 | 27% | 0.268 | S | S | . | . | trans | 80.9 | -2.3 | 172 | 0 | 0 | 0 | 0 | 0 | 114.9 | T111 R112 R116 | T111-G114 PolarHBondContact O-N 2.86Å; R112-G114 PolarHBondContact O-N 2.06Å; G114-R116 WeakPolarHBondContact O-CG 3.16Å | ||
| 115 | R | 83.8 | Confident | 89.6 | Confident | 138 Ų | 138 | 54.7 Ų | 54.7 | 52% | 0.521 | 28% | 0.281 | S | S | . | . | trans | -63.5 | 147.8 | 172 | -66.9 | 178.7 | -164.4 | 175.1 | 6 | 109.8 | I6 V110 T111 D113 | I6-R115 HydrophobicContact CD1-CB 3.35Å; I6-R115 WeakPolarHBondContact CD1-O 3.49Å; I6-R115 HydrophobicContact CG1-CB 4.28Å; V110-R115 WeakPolarHBondContact CA-O 3.38Å; T111-R115 PolarHBondContact N-O 3.03Å; T111-R115 WeakPolarHBondContact OG1-CB 3.45Å; T111-R115 PolarHBondContact OG1-N 3.27Å; T111-R115 PolarHBondContact OG1-O 2.83Å; D113-R115 VanDerWaalsContact C-N 3.26Å; D113-R115 PolarHBondContact O-N 3.35Å; D113-R115 WeakPolarHBondContact OD2-CD 3.38Å; D113-R115 WeakPolarHBondContact OD2-CG 3.15Å; D113-R115 IonicContact OD2-CZ 3.36Å; D113-R115 IonicContact OD2-NE 2.85Å; D113-R115 PolarHBondContact OD2-NE 2.82Å; D113-R115 IonicContact OD2-NH2 3.76Å | ||
| 116 | R | 87.4 | Confident | 89.5 | Confident | 145 Ų | 145 | 55 Ų | 55 | 55% | 0.547 | 28% | 0.284 | S | S | . | . | B | Isolated β-bridge | trans | -128.3 | 142.9 | -175.1 | -52.2 | -174.6 | 177.3 | 179.6 | -6.5 | 110.8 | A80 V108 A109 V110 G114 | A80-R116 PolarHBondContact O-NH2 2.78Å; V108-R116 HydrophobicContact CG2-CB 4.22Å; A109-R116 CarbonylContact O-C 3.58Å; A109-R116 WeakPolarHBondContact O-CA 3.43Å; V110-R116 HydrophobicContact CG1-CG 4.28Å; V110-R116 HydrophobicContact CG2-CB 4.39Å; V110-R116 HydrophobicContact CG2-CG 3.92Å; G114-R116 WeakPolarHBondContact O-CG 3.16Å |
| 117 | S | 90.2 | Very high | 89.2 | Confident | 11 Ų | 11 | 52.2 Ų | 52.2 | 8% | 0.077 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -71 | 171.1 | 166.1 | 74.6 | 0 | 0 | 0 | 0 | 110.9 | I6 P9 V108 A109 | I6-S117 WeakPolarHBondContact O-CB 3.22Å; P9-S117 WeakPolarHBondContact CD-OG 3.33Å; V108-S117 WeakPolarHBondContact CG2-O 3.47Å; A109-S117 PolarHBondContact N-OG 3.09Å; A109-S117 PolarHBondContact O-N 2.94Å |
| 118 | S | 89.6 | Confident | 88.9 | Confident | 83 Ų | 83 | 58.5 Ų | 58.5 | 58% | 0.58 | 31% | 0.311 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 156.3 | 159.5 | 57.4 | 0 | 0 | 0 | 0 | 110.8 | ||
| 119 | V | 93 | Very high | 88.5 | Confident | 54 Ų | 54 | 60.8 Ų | 60.8 | 33% | 0.327 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -81.8 | 122.3 | 174.9 | 178.9 | 0 | 0 | 0 | 0 | 108.6 | K77 P78 R106 A107 V108 | K77-V119 HydrophobicContact CG-CG2 4.19Å; P78-V119 HydrophobicContact CG-CG1 4.2Å; P78-V119 HydrophobicContact CG-CG2 4.49Å; R106-V119 HydrophobicContact CB-CG1 4.09Å; A107-V119 WeakPolarHBondContact O-CA 3.38Å; V108-V119 HydrophobicContact CB-CG2 4.29Å; V108-V119 HydrophobicContact CG2-CG2 4.49Å |
| 120 | V | 94.2 | Very high | 87.6 | Confident | 40 Ų | 40 | 67.7 Ų | 67.7 | 24% | 0.242 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 145.5 | 170.5 | 68.4 | 0 | 0 | 0 | 0 | 109.5 | P9 I11 R106 A107 | P9-V120 HydrophobicContact CG-CG1 3.81Å; P9-V120 WeakPolarHBondContact O-CG1 3.31Å; I11-V120 HydrophobicContact CD1-CG1 3.68Å; I11-V120 HydrophobicContact CG1-CG1 4.03Å; R106-V120 CarbonylContact C-O 3.54Å; R106-V120 WeakPolarHBondContact CA-O 3.49Å; A107-V120 HydrophobicContact CB-CG1 3.86Å; A107-V120 PolarHBondContact N-O 3.18Å; A107-V120 PolarHBondContact O-N 3.45Å |
| 121 | T | 94.1 | Very high | 86.2 | Confident | 66 Ų | 66 | 72.3 Ų | 72.3 | 41% | 0.405 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 130.9 | 172.7 | -57.6 | 0 | 0 | 0 | 0 | 109.4 | V105 R106 | V105-T121 CarbonylContact O-C 3.55Å; V105-T121 WeakPolarHBondContact O-CA 3.4Å; R106-T121 HydrophobicContact CG-CG2 3.89Å; R106-T121 WeakPolarHBondContact CG-OG1 3.42Å; R106-T121 PolarHBondContact NE-OG1 2.85Å; R106-T121 VanDerWaalsContact NE-OG1 3.12Å |
| 122 | K | 93.1 | Very high | 84.6 | Confident | 38 Ų | 38 | 78.3 Ų | 78.3 | 17% | 0.165 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 128.8 | 170.5 | -166.6 | 168.3 | -176.8 | -172.4 | 0 | 110.7 | I11 V105 F124 | I11-K122 HydrophobicContact CB-CB 4Å; I11-K122 HydrophobicContact CB-CD 3.92Å; I11-K122 HydrophobicContact CD1-CB 3.84Å; I11-K122 HydrophobicContact CG2-CB 4.15Å; I11-K122 HydrophobicContact CG2-CD 4.07Å; I11-K122 WeakPolarHBondContact O-CD 3.39Å; I11-K122 PolarHBondContact O-NZ 3.43Å; V105-K122 PolarHBondContact N-O 2.99Å; V105-K122 PolarHBondContact O-N 3.28Å; K122-F124 HydrophobicContact CB-CE2 4.15Å; K122-F124 HydrophobicContact CD-CE1 4.24Å; K122-F124 HydrophobicContact CD-CE2 3.94Å; K122-F124 HydrophobicContact CD-CZ 3.55Å; K122-F124 HydrophobicContact CG-CD2 4.46Å; K122-F124 HydrophobicContact CG-CE2 3.85Å; K122-F124 HydrophobicContact CG-CZ 3.93Å |
| 123 | V | 93.1 | Very high | 82.8 | Confident | 50 Ų | 50 | 77.3 Ų | 77.3 | 30% | 0.303 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 131.4 | 179.6 | -176.9 | 0 | 0 | 0 | 0 | 109.2 | R102 V103 | R102-V123 HydrophobicContact CG-CG1 3.86Å; V103-V123 CarbonylContact O-C 3.56Å; V103-V123 WeakPolarHBondContact O-CA 3.37Å |
| 124 | F | 91 | Very high | 81.3 | Confident | 0 Ų | 0 | 81.8 Ų | 81.8 | 0% | 0 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 141 | 175.1 | -65.3 | -85.7 | 0 | 0 | 0 | 111.1 | I11 P13 T24 I26 V32 L98 R102 V103 V105 K122 V126 | I11-F124 HydrophobicContact CG2-CE2 3.7Å; I11-F124 HydrophobicContact CG2-CZ 3.89Å; P13-F124 HydrophobicContact CB-CE1 4.42Å; P13-F124 HydrophobicContact CG-CE1 4.34Å; T24-F124 CarbonylContact O-C 3.46Å; T24-F124 WeakPolarHBondContact O-CA 3.38Å; I26-F124 HydrophobicContact CD1-CB 4.25Å; I26-F124 HydrophobicContact CD1-CD1 3.81Å; I26-F124 HydrophobicContact CD1-CE1 4.34Å; I26-F124 HydrophobicContact CD1-CG 4.09Å; I26-F124 HydrophobicContact CG1-CB 4.29Å; I26-F124 HydrophobicContact CG1-CD1 4.09Å; I26-F124 HydrophobicContact CG1-CG 4.48Å; I26-F124 HydrophobicContact CG2-CD1 4.01Å; I26-F124 HydrophobicContact CG2-CE1 4.29Å; V32-F124 HydrophobicContact CG1-CE2 4.14Å; V32-F124 HydrophobicContact CG1-CZ 4.05Å; V32-F124 HydrophobicContact CG2-CE1 4.45Å; V32-F124 HydrophobicContact CG2-CE2 4.38Å; V32-F124 HydrophobicContact CG2-CZ 4.14Å; L98-F124 HydrophobicContact CD1-CB 3.85Å; L98-F124 HydrophobicContact CD1-CD2 3.42Å; L98-F124 VanDerWaalsContact CD1-CD2 3.42Å; L98-F124 HydrophobicContact CD1-CE2 4.06Å; L98-F124 HydrophobicContact CD1-CG 3.74Å; R102-F124 CarbonylContact C-O 3.54Å; R102-F124 WeakPolarHBondContact CA-O 3.36Å; V103-F124 PolarHBondContact N-O 3.07Å; V103-F124 PolarHBondContact O-N 2.76Å; V105-F124 HydrophobicContact CB-CE2 4.46Å; V105-F124 HydrophobicContact CG2-CD2 3.85Å; V105-F124 HydrophobicContact CG2-CE2 3.89Å; K122-F124 HydrophobicContact CB-CE2 4.15Å; K122-F124 HydrophobicContact CD-CE1 4.24Å; K122-F124 HydrophobicContact CD-CE2 3.94Å; K122-F124 HydrophobicContact CD-CZ 3.55Å; K122-F124 HydrophobicContact CG-CD2 4.46Å; K122-F124 HydrophobicContact CG-CE2 3.85Å; K122-F124 HydrophobicContact CG-CZ 3.93Å; F124-V126 HydrophobicContact CB-CG2 4.05Å |
| 125 | S | 90.8 | Very high | 79.5 | Confident | 65 Ų | 65 | 85.4 Ų | 85.4 | 46% | 0.455 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 108.9 | 163.4 | -65.2 | 0 | 0 | 0 | 0 | 107.5 | T24 R25 I26 | T24-S125 PolarHBondContact O-N 3.45Å; R25-S125 WeakPolarHBondContact CA-O 3.33Å; I26-S125 PolarHBondContact N-O 2.47Å; I26-S125 VanDerWaalsContact O-O 3.12Å |
| 126 | V | 92.6 | Very high | 77.8 | Confident | 8 Ų | 8 | 86.9 Ų | 86.9 | 5% | 0.048 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 112.6 | -172.4 | -170.3 | 0 | 0 | 0 | 0 | 109.6 | I26 T28 L98 P99 G101 V103 F124 | I26-V126 HydrophobicContact CD1-CG2 4.23Å; I26-V126 HydrophobicContact CG1-CB 4.48Å; I26-V126 HydrophobicContact CG1-CG1 4.4Å; I26-V126 HydrophobicContact CG1-CG2 3.94Å; I26-V126 CarbonylContact O-C 3.57Å; I26-V126 VanDerWaalsContact O-CA 3.23Å; I26-V126 WeakPolarHBondContact O-CA 3.41Å; T28-V126 HydrophobicContact CG2-CG1 3.71Å; L98-V126 HydrophobicContact CB-CG2 3.79Å; L98-V126 HydrophobicContact CD1-CG2 4.31Å; P99-V126 VanDerWaalsContact O-CB 3.25Å; P99-V126 WeakPolarHBondContact O-CB 3.32Å; P99-V126 WeakPolarHBondContact O-CG1 3.43Å; P99-V126 WeakPolarHBondContact O-CG2 3.42Å; G101-V126 PolarHBondContact N-O 2.76Å; G101-V126 PolarHBondContact O-N 3.29Å; V103-V126 HydrophobicContact CB-CG2 4.42Å; V103-V126 HydrophobicContact CG2-CG2 3.93Å; F124-V126 HydrophobicContact CB-CG2 4.05Å |
| 127 | G | 89 | Confident | 75.5 | Confident | 27 Ų | 27 | 86 Ų | 86 | 28% | 0.278 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 140.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | I26 D27 T28 | I26-G127 PolarHBondContact O-N 3.32Å; D27-G127 CarbonylContact C-O 3.42Å; D27-G127 WeakPolarHBondContact CA-O 3.02Å; T28-G127 WeakPolarHBondContact CG2-O 3.24Å; T28-G127 PolarHBondContact N-O 3.28Å |
| 128 | Q | 86.8 | Confident | 73.5 | Confident | 133 Ų | 133 | 94.5 Ų | 94.5 | 62% | 0.621 | 52% | 0.519 | S | S | * | . | trans | -67.8 | 129.1 | 164.4 | -79.7 | -71.4 | 13.5 | 0 | 0 | 108.7 | A100 | A100-Q128 HydrophobicContact CB-CG 3.6Š| ||
| 129 | V | 83.9 | Confident | 70.9 | Confident | 53 Ų | 53 | 93.3 Ų | 93.3 | 32% | 0.321 | 52% | 0.52 | S | S | . | . | trans | -93.4 | 109.5 | 161.2 | -173.9 | 0 | 0 | 0 | 0 | 105.6 | D27 T28 R29 | D27-V129 HydrophobicContact CB-CG2 3.57Å; T28-V129 PolarHBondContact OG1-N 2.99Å; R29-V129 HydrophobicContact CG-CB 4.35Å; R29-V129 HydrophobicContact CG-CG2 4.19Å | ||
| 130 | E | 73.6 | Confident | 68.5 | Low | 147 Ų | 147 | 95 Ų | 95 | 69% | 0.687 | 55% | 0.548 | S | S | * | . | trans | -58.7 | 129.2 | 168.7 | -73.3 | -75.2 | 109.3 | 0 | 0 | 107.7 | D132 | E130-D132 PolarHBondContact O-N 2.98Å; E130-D132 VanDerWaalsContact O-N 3.13Å | ||
| 131 | P | 57.2 | Low | 65.7 | Low | 111 Ų | 111 | 103.3 Ų | 103.3 | 72% | 0.721 | 58% | 0.576 | S | S | * | * | trans | -60.3 | 120.4 | 170.1 | 24.6 | -29.1 | 0 | 0 | 0 | 107 | Q133 | P131-Q133 PolarHBondContact O-N 3.25Š| ||
| 132 | D | 52.9 | Low | 62.9 | Low | 153 Ų | 153 | 106.9 Ų | 106.9 | 82% | 0.818 | 59% | 0.593 | S | S | * | * | trans | -44 | 103 | -172.1 | -151.1 | 19.4 | 0 | 0 | 0 | 110.7 | E130 Q134 | E130-D132 PolarHBondContact O-N 2.98Å; E130-D132 VanDerWaalsContact O-N 3.13Å; D132-Q134 PolarHBondContact O-N 3.43Å; D132-Q134 VanDerWaalsContact O-N 3.13Å | ||
| 133 | Q | 44.7 | Very low | 60.1 | Low | 162 Ų | 162 | 109.4 Ų | 109.4 | 76% | 0.757 | 62% | 0.616 | S | S | * | * | trans | -73.1 | 106.7 | 168.8 | -165.5 | 155.1 | 17.1 | 0 | 0 | 104.1 | P131 V135 | P131-Q133 PolarHBondContact O-N 3.25Å; Q133-V135 PolarHBondContact O-N 3.32Å | ||
| 134 | Q | 47.5 | Very low | 57.3 | Low | 188 Ų | 188 | 114.2 Ų | 114.2 | 88% | 0.879 | 64% | 0.639 | S | S | * | * | trans | -53.2 | 93.3 | 170.4 | -76.7 | -179.9 | -57.4 | 0 | 0 | 108.2 | D132 Q136 | D132-Q134 PolarHBondContact O-N 3.43Å; D132-Q134 VanDerWaalsContact O-N 3.13Å; Q134-Q136 PolarHBondContact O-N 3.4Å | ||
| 135 | V | 40.5 | Very low | 54.6 | Low | 122 Ų | 122 | 122.4 Ų | 122.4 | 74% | 0.739 | 68% | 0.678 | S | S | * | * | trans | -79.6 | 110.9 | 171.5 | 174.1 | 0 | 0 | 0 | 0 | 106.5 | Q133 S137 | Q133-V135 PolarHBondContact O-N 3.32Å; V135-S137 PolarHBondContact O-N 3.23Å | ||
| 136 | Q | 47.9 | Very low | 52 | Low | 169 Ų | 169 | 129.6 Ų | 129.6 | 79% | 0.79 | 70% | 0.695 | S | S | * | * | trans | -21.4 | 116.2 | 155.7 | -71.4 | 158.9 | -24 | 0 | 0 | 112.4 | Q134 E138 | Q134-Q136 PolarHBondContact O-N 3.4Å; Q136-E138 PolarHBondContact O-N 2.68Å | ||
| 137 | S | 40.2 | Very low | 49.1 | Very low | 125 Ų | 125 | 134.2 Ų | 134.2 | 87% | 0.874 | 73% | 0.728 | S | S | * | * | trans | -85.5 | 95.8 | 153 | -71.1 | 0 | 0 | 0 | 0 | 107.4 | V135 G139 | V135-S137 PolarHBondContact O-N 3.23Å; S137-G139 PolarHBondContact O-N 2.65Å | ||
| 138 | E | 47.5 | Very low | 46.2 | Very low | 191 Ų | 191 | 136.4 Ų | 136.4 | 89% | 0.893 | 75% | 0.75 | S | S | * | * | trans | -67.2 | 107.2 | 154.7 | -68 | -165.8 | 124.6 | 0 | 0 | 107.4 | Q136 | Q136-E138 PolarHBondContact O-N 2.68Š| ||
| 139 | G | 35.2 | Very low | 43.6 | Very low | 58 Ų | 58 | 136.4 Ų | 136.4 | 60% | 0.598 | 77% | 0.765 | S | S | * | * | trans | -144.2 | 84.3 | 172 | 0 | 0 | 0 | 0 | 0 | 107.6 | S137 Y141 | S137-G139 PolarHBondContact O-N 2.65Å; G139-Y141 PolarHBondContact O-N 3.16Å | ||
| 140 | G | 42.5 | Very low | 41 | Very low | 88 Ų | 88 | 141.4 Ų | 141.4 | 91% | 0.907 | 79% | 0.79 | S | S | * | * | trans | -64.7 | 127 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 141 | Y | 35.8 | Very low | 39.6 | Very low | 215 Ų | 215 | 139.7 Ų | 139.7 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | -142.7 | 130 | 147 | 58.1 | -87.4 | 0 | 0 | 0 | 107.5 | G139 | G139-Y141 PolarHBondContact O-N 3.16Š| ||
| 142 | D | 34.4 | Very low | 38.3 | Very low | 142 Ų | 142 | 140.6 Ų | 140.6 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | trans | -68 | 139.3 | 177.5 | -176.8 | -89.1 | 0 | 0 | 0 | 110.4 | ||||
| 143 | S | 34.8 | Very low | 38.1 | Very low | 91 Ų | 91 | 138.9 Ų | 138.9 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | 163.2 | 123.5 | 127.6 | -74.3 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 144 | D | 34.3 | Very low | 37.3 | Very low | 150 Ų | 150 | 136 Ų | 136 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | 79.9 | 122 | 142.5 | -64.4 | -46 | 0 | 0 | 0 | 125 | ||||
| 145 | E | 35.5 | Very low | 36.3 | Very low | 172 Ų | 172 | 130.3 Ų | 130.3 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -23.5 | 137.8 | 165.1 | -69.5 | -170.1 | 69.8 | 0 | 0 | 119.7 | ||||
| 146 | R | 35.3 | Very low | 35.9 | Very low | 217 Ų | 217 | 131.2 Ų | 131.2 | 82% | 0.819 | 79% | 0.794 | S | S | * | * | 162.5 | 137.2 | 88 | -171.8 | 145.1 | -175.7 | -154.4 | 2.1 | 114.1 | |||||
| 147 | S | 32.5 | Very low | 35.5 | Very low | 105 Ų | 105 | 128.8 Ų | 128.8 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | 78.2 | 106.5 | 151.7 | -78 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 148 | G | 28 | Very low | 34.8 | Very low | 73 Ų | 73 | 126.5 Ų | 126.5 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | 107.9 | 108.9 | 101.6 | 0 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 149 | S | 31.6 | Very low | 33.9 | Very low | 133 Ų | 133 | 129 Ų | 129 | 93% | 0.93 | 79% | 0.79 | S | S | * | * | trans | 91.1 | 117.7 | 147.5 | 58 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 150 | D | 29.8 | Very low | 33.7 | Very low | 157 Ų | 157 | 131.5 Ų | 131.5 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | trans | -48.1 | -177.2 | 164.7 | -87.3 | -43.1 | 0 | 0 | 0 | 118.1 | ||||
| 151 | P | 42.8 | Very low | 32.9 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | cis | -133.4 | 176.2 | -41.5 | 36.7 | -18.5 | 0 | 0 | 0 | 113.5 | ||||
| 152 | T | 31.1 | Very low | 32.7 | Very low | 131 Ų | 131 | 136.7 Ų | 136.7 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -56.6 | 175.3 | 171.3 | -12.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 153 | P | 47.4 | Very low | 32.4 | Very low | 116 Ų | 116 | 136.9 Ų | 136.9 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | cis | -152.8 | 178.7 | 26.5 | 40.2 | -15.1 | 0 | 0 | 0 | 121.5 | ||||
| 154 | A | 27.8 | Very low | 32 | Very low | 102 Ų | 102 | 141.3 Ų | 141.3 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | trans | 91.7 | 132 | 143.1 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 155 | G | 26.6 | Very low | 31.7 | Very low | 69 Ų | 69 | 140.3 Ų | 140.3 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | trans | 136.7 | 50.3 | 136.6 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 156 | T | 33.4 | Very low | 31.3 | Very low | 140 Ų | 140 | 137.8 Ų | 137.8 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | trans | 58.9 | 176.2 | 139.7 | -7.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 157 | P | 38.5 | Very low | 30.9 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | -125.6 | 171.2 | -115 | 41.9 | -22.9 | 0 | 0 | 0 | 115.8 | |||||
| 158 | G | 25.5 | Very low | 30.7 | Very low | 77 Ų | 77 | 133.8 Ų | 133.8 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | trans | 103 | 107.2 | 137.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 159 | R | 28.7 | Very low | 30.7 | Very low | 243 Ų | 243 | 136.7 Ų | 136.7 | 92% | 0.917 | 81% | 0.812 | S | S | * | * | trans | -164.2 | 106.7 | 136.4 | -153.6 | 162.4 | 153 | -146.5 | -8.6 | 109.2 | E161 | R159-E161 VanDerWaalsContact C-N 3.35Å; R159-E161 PolarHBondContact O-N 2.94Å | ||
| 160 | S | 31.6 | Very low | 30.4 | Very low | 111 Ų | 111 | 134.7 Ų | 134.7 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | trans | -70.2 | 95.6 | 169.5 | 29.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 161 | E | 26.2 | Very low | 30.3 | Very low | 173 Ų | 173 | 132.8 Ų | 132.8 | 81% | 0.808 | 80% | 0.803 | S | S | * | * | trans | -70.5 | 119.6 | 169.2 | -165 | 164.1 | 179.1 | 0 | 0 | 108.4 | R159 I163 | R159-E161 VanDerWaalsContact C-N 3.35Å; R159-E161 PolarHBondContact O-N 2.94Å; E161-I163 PolarHBondContact O-N 3.12Å | ||
| 162 | W | 30 | Very low | 29.9 | Very low | 239 Ų | 239 | 136.5 Ų | 136.5 | 91% | 0.905 | 81% | 0.81 | S | S | * | * | trans | -73.9 | 114.9 | 175.7 | -71 | 82 | 0 | 0 | 0 | 108.2 | E164 | W162-E164 PolarHBondContact O-N 2.74Š| ||
| 163 | I | 28.6 | Very low | 30 | Very low | 146 Ų | 146 | 136.2 Ų | 136.2 | 75% | 0.749 | 81% | 0.811 | S | S | * | * | trans | -78.8 | 109.8 | 175.1 | -60.6 | 171.7 | 0 | 0 | 0 | 107.8 | E161 V165 | E161-I163 PolarHBondContact O-N 3.12Å; I163-V165 HydrophobicContact CG2-CG2 3.73Å; I163-V165 PolarHBondContact O-N 3.23Å | ||
| 164 | E | 27 | Very low | 28.9 | Very low | 184 Ų | 184 | 134.3 Ų | 134.3 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | trans | -71.5 | 105.4 | 164.5 | -83.5 | -175.1 | 139.4 | 0 | 0 | 109 | W162 | W162-E164 PolarHBondContact O-N 2.74Š| ||
| 165 | V | 28.5 | Very low | 29.2 | Very low | 128 Ų | 128 | 141.3 Ų | 141.3 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | trans | -95 | 101.6 | 169.6 | -174.6 | 0 | 0 | 0 | 0 | 108.3 | I163 | I163-V165 HydrophobicContact CG2-CG2 3.73Å; I163-V165 PolarHBondContact O-N 3.23Å | ||
| 166 | T | 27.1 | Very low | 29.4 | Very low | 120 Ų | 120 | 144.7 Ų | 144.7 | 74% | 0.736 | 82% | 0.823 | S | S | * | * | trans | -94 | 131.9 | 164.1 | -45.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 167 | C | 25.7 | Very low | 29.5 | Very low | 127 Ų | 127 | 146.6 Ų | 146.6 | 86% | 0.858 | 83% | 0.825 | S | S | * | * | trans | -161.3 | 145.9 | 155.2 | -100.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 168 | S | 27.7 | Very low | 29 | Very low | 111 Ų | 111 | 146.8 Ų | 146.8 | 78% | 0.776 | 83% | 0.829 | S | S | * | * | trans | -71.2 | 172.2 | -171.9 | -54.9 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 169 | P | 29.8 | Very low | 29.4 | Very low | 133 Ų | 133 | 148.6 Ų | 148.6 | 86% | 0.864 | 83% | 0.83 | S | S | * | * | trans | -86.2 | 137.7 | -168.7 | 33.9 | -28.7 | 0 | 0 | 0 | 112 | ||||
| 170 | A | 24.6 | Very low | 29.8 | Very low | 91 Ų | 91 | 142.8 Ų | 142.8 | 75% | 0.752 | 82% | 0.823 | S | S | * | * | trans | -132.2 | 108.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 171 | S | 28 | Very low | 30.1 | Very low | 117 Ų | 117 | 143.1 Ų | 143.1 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | 43.3 | 123.8 | 132.3 | -43.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 172 | E | 33.8 | Very low | 30.6 | Very low | 190 Ų | 190 | 141 Ų | 141 | 89% | 0.888 | 82% | 0.824 | S | S | * | * | trans | -54.2 | 157.2 | 164.9 | -62.5 | -168 | 107.8 | 0 | 0 | 113.2 | ||||
| 173 | P | 33.1 | Very low | 30.8 | Very low | 125 Ų | 125 | 136 Ų | 136 | 81% | 0.812 | 82% | 0.819 | S | S | * | * | -146.9 | 155.6 | 108.5 | 35.5 | -19.5 | 0 | 0 | 0 | 115.9 | |||||
| 174 | G | 25.6 | Very low | 31.1 | Very low | 75 Ų | 75 | 134.6 Ų | 134.6 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | 98.1 | 101.8 | 126.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 175 | R | 34.1 | Very low | 31.6 | Very low | 250 Ų | 250 | 133.6 Ų | 133.6 | 94% | 0.943 | 82% | 0.819 | S | S | * | * | trans | -79 | 136.3 | 172 | -56.1 | 178.2 | 175.3 | -149.8 | -2.4 | 111 | ||||
| 176 | T | 30 | Very low | 31.9 | Very low | 139 Ų | 139 | 133.6 Ų | 133.6 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | trans | -145.1 | 123.3 | 154.2 | -35.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 177 | M | 34.4 | Very low | 32.1 | Very low | 181 Ų | 181 | 133.6 Ų | 133.6 | 89% | 0.892 | 83% | 0.827 | S | S | * | * | trans | -69.5 | 137.8 | 172.8 | -75.5 | -103.5 | -127.1 | 0 | 0 | 111 | ||||
| 178 | S | 29.2 | Very low | 32.4 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 86% | 0.86 | 83% | 0.827 | S | S | * | * | trans | -160.4 | 129.9 | 154.9 | -76.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 179 | S | 33.7 | Very low | 32.5 | Very low | 115 Ų | 115 | 139 Ų | 139 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 161.6 | -176.1 | -55.4 | 0 | 0 | 0 | 0 | 114.5 | ||
| 180 | P | 38.1 | Very low | 32.5 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 79% | 0.786 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 152.9 | -179.5 | 34.3 | -33.2 | 0 | 0 | 0 | 113.9 | ||
| 181 | P | 36.1 | Very low | 32.8 | Very low | 118 Ų | 118 | 144 Ų | 144 | 77% | 0.766 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 164.5 | 172.1 | 35 | -32.3 | 0 | 0 | 0 | 113.3 | ||
| 182 | P | 37.3 | Very low | 32.8 | Very low | 127 Ų | 127 | 141.9 Ų | 141.9 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 157.4 | -163.2 | 35 | -34.2 | 0 | 0 | 0 | 114.6 | ||
| 183 | V | 35.5 | Very low | 32.5 | Very low | 135 Ų | 135 | 138.1 Ų | 138.1 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 138.2 | -179.9 | -145.3 | 0 | 0 | 0 | 0 | 110.4 | ||
| 184 | P | 34.7 | Very low | 32.3 | Very low | 117 Ų | 117 | 135.6 Ų | 135.6 | 76% | 0.76 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 137.2 | 170.5 | 5.4 | 13.2 | 0 | 0 | 0 | 112.4 | ||
| 185 | L | 36 | Very low | 32.8 | Very low | 162 Ų | 162 | 140 Ų | 140 | 85% | 0.848 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 148.8 | 164.1 | -76.5 | 93.8 | 0 | 0 | 0 | 110.7 | ||
| 186 | P | 35.8 | Very low | 33 | Very low | 128 Ų | 128 | 133.9 Ų | 133.9 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -93 | 137.2 | 164.8 | 32.8 | -27.3 | 0 | 0 | 0 | 112.8 | ||
| 187 | S | 31.4 | Very low | 33 | Very low | 121 Ų | 121 | 134.1 Ų | 134.1 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 154.9 | -176.9 | -53.2 | 0 | 0 | 0 | 0 | 114.8 | ||
| 188 | R | 32.1 | Very low | 33 | Very low | 226 Ų | 226 | 130.8 Ų | 130.8 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 143.7 | 170.4 | 168 | -170.2 | -91.1 | -120.3 | 0.7 | 112.1 | ||
| 189 | C | 29.2 | Very low | 33.2 | Very low | 125 Ų | 125 | 132.8 Ų | 132.8 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | -166 | 156.3 | 147.4 | -94.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 190 | S | 30.8 | Very low | 33.1 | Very low | 77 Ų | 77 | 132 Ų | 132 | 54% | 0.538 | 81% | 0.805 | S | S | . | * | -173.9 | 128.4 | -54.2 | -89.9 | 0 | 0 | 0 | 0 | 105.7 | |||||
| 191 | R | 30.7 | Very low | 32.8 | Very low | 252 Ų | 252 | 130.7 Ų | 130.7 | 95% | 0.951 | 80% | 0.804 | S | S | * | * | trans | 64.7 | 141.5 | 161.5 | -60.1 | -175.6 | -89.1 | -141.3 | -0.6 | 116.6 | ||||
| 192 | G | 27.1 | Very low | 32.5 | Very low | 73 Ų | 73 | 137.1 Ų | 137.1 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | cis | 168.1 | 174.5 | 5.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 193 | A | 28.3 | Very low | 32.1 | Very low | 111 Ų | 111 | 137.7 Ų | 137.7 | 92% | 0.917 | 82% | 0.815 | S | S | * | * | trans | 95.8 | 120.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 194 | G | 27.3 | Very low | 31.7 | Very low | 71 Ų | 71 | 136.5 Ų | 136.5 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | trans | 103.9 | 91.5 | 132 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 195 | I | 37.8 | Very low | 31.5 | Very low | 167 Ų | 167 | 137.1 Ų | 137.1 | 86% | 0.856 | 82% | 0.82 | S | S | * | * | trans | -69.8 | 142.1 | 150.7 | -61.5 | -75 | 0 | 0 | 0 | 107.9 | ||||
| 196 | P | 36.7 | Very low | 31.2 | Very low | 122 Ų | 122 | 134.2 Ų | 134.2 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | trans | -130.6 | 148.2 | 135.1 | 27.1 | -10.6 | 0 | 0 | 0 | 114 | ||||
| 197 | D | 30.8 | Very low | 31 | Very low | 145 Ų | 145 | 139.3 Ų | 139.3 | 78% | 0.775 | 82% | 0.816 | S | S | * | * | trans | -59 | 150.2 | 176.6 | -130 | -29.3 | 0 | 0 | 0 | 113.3 | ||||
| 198 | P | 33.8 | Very low | 31 | Very low | 110 Ų | 110 | 144 Ų | 144 | 71% | 0.714 | 82% | 0.815 | S | S | * | * | trans | -100.2 | 90.4 | 176.4 | 34.8 | -21 | 0 | 0 | 0 | 111 | ||||
| 199 | D | 33.7 | Very low | 31 | Very low | 165 Ų | 165 | 137.4 Ų | 137.4 | 88% | 0.882 | 80% | 0.803 | S | S | * | * | trans | -157.4 | 86.8 | 161.8 | -96.7 | -32.3 | 0 | 0 | 0 | 110.5 | ||||
| 200 | A | 31.5 | Very low | 31.1 | Very low | 98 Ų | 98 | 140.2 Ų | 140.2 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | -154.2 | 84.2 | 158.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 201 | A | 31.3 | Very low | 31 | Very low | 94 Ų | 94 | 142.2 Ų | 142.2 | 78% | 0.777 | 82% | 0.818 | S | S | * | * | trans | -51.9 | 150.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111 | T203 | A201-T203 PolarHBondContact O-N 3.22Š| ||
| 202 | W | 30.2 | Very low | 31.2 | Very low | 253 Ų | 253 | 134.7 Ų | 134.7 | 96% | 0.958 | 81% | 0.809 | S | S | * | * | trans | -48.2 | 129.2 | -176.3 | -61 | -4.9 | 0 | 0 | 0 | 113.3 | ||||
| 203 | T | 28.5 | Very low | 31.2 | Very low | 140 Ų | 140 | 138.1 Ų | 138.1 | 86% | 0.859 | 81% | 0.81 | S | S | * | * | trans | -121.2 | 118.6 | 151.2 | 48.8 | 0 | 0 | 0 | 0 | 108.3 | A201 | A201-T203 PolarHBondContact O-N 3.22Š| ||
| 204 | S | 27.3 | Very low | 31.7 | Very low | 110 Ų | 110 | 137 Ų | 137 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -52 | 145.5 | -179.2 | -55.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 205 | S | 31.2 | Very low | 31.9 | Very low | 130 Ų | 130 | 141.9 Ų | 141.9 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | trans | -122.2 | 109.9 | 150.4 | -84.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 206 | S | 30.5 | Very low | 31.9 | Very low | 101 Ų | 101 | 142.7 Ų | 142.7 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | -62.6 | 145.7 | 175.6 | -64 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 207 | R | 31.4 | Very low | 31.8 | Very low | 235 Ų | 235 | 142.8 Ų | 142.8 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | trans | -152.4 | 100.9 | 132 | -114.1 | 172.6 | -87.7 | -106 | 0.5 | 106.5 | ||||
| 208 | R | 31.4 | Very low | 31.7 | Very low | 220 Ų | 220 | 144.2 Ų | 144.2 | 83% | 0.83 | 80% | 0.804 | S | S | * | * | 47.4 | 119.2 | 102.1 | -107.8 | -171.7 | -86.9 | -105.3 | -0.8 | 111 | |||||
| 209 | S | 31.7 | Very low | 31.9 | Very low | 87 Ų | 87 | 144.6 Ų | 144.6 | 61% | 0.608 | 81% | 0.807 | S | S | * | * | cis | -176.8 | 148 | 44.2 | -86 | 0 | 0 | 0 | 0 | 112 | ||||
| 210 | H | 31.3 | Very low | 31.8 | Very low | 183 Ų | 183 | 143.4 Ų | 143.4 | 85% | 0.847 | 80% | 0.799 | S | S | * | * | trans | 42 | 116.7 | 144.6 | -54.3 | -70.6 | 0 | 0 | 0 | 121.6 | ||||
| 211 | S | 28.7 | Very low | 32.1 | Very low | 120 Ų | 120 | 142.4 Ų | 142.4 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | 172.9 | 139.4 | 99.6 | -167 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 212 | A | 34.6 | Very low | 32.8 | Very low | 93 Ų | 93 | 142.4 Ų | 142.4 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | -67.5 | 135.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 213 | D | 26.4 | Very low | 33.3 | Very low | 145 Ų | 145 | 138.2 Ų | 138.2 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | -170.2 | 157.6 | 119.7 | -149.5 | -3.4 | 0 | 0 | 0 | 111 | |||||
| 214 | S | 39.1 | Very low | 33.8 | Very low | 89 Ų | 89 | 137.1 Ų | 137.1 | 62% | 0.622 | 76% | 0.758 | S | S | * | * | trans | -77.6 | 111.4 | -162.8 | -46.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 215 | H | 31.1 | Very low | 34.2 | Very low | 173 Ų | 173 | 138.6 Ų | 138.6 | 80% | 0.801 | 75% | 0.752 | S | S | * | * | trans | -144.7 | 117.4 | 156.8 | -75.3 | -70.9 | 0 | 0 | 0 | 111.1 | P217 | H215-P217 WeakPolarHBondContact O-CD 3.31Š| ||
| 216 | H | 39.6 | Very low | 34.6 | Very low | 183 Ų | 183 | 135.5 Ų | 135.5 | 85% | 0.847 | 73% | 0.728 | S | S | * | * | trans | -48.4 | 126.2 | 169.8 | -49.2 | -84.2 | 0 | 0 | 0 | 111.6 | ||||
| 217 | P | 33.2 | Very low | 34.9 | Very low | 125 Ų | 125 | 135.9 Ų | 135.9 | 81% | 0.812 | 72% | 0.719 | S | S | * | * | trans | -85.2 | 116.9 | 161.4 | -6.1 | 24.5 | 0 | 0 | 0 | 108.7 | H215 | H215-P217 WeakPolarHBondContact O-CD 3.31Š| ||
| 218 | M | 29.9 | Very low | 34.7 | Very low | 174 Ų | 174 | 134.7 Ų | 134.7 | 86% | 0.857 | 71% | 0.714 | S | S | * | * | trans | -44.9 | 142.3 | 163.7 | -75.5 | -84.4 | 173.6 | 0 | 0 | 111 | L220 | M218-L220 PolarHBondContact O-N 2.86Å; M218-L220 VanDerWaalsContact O-N 3.14Å | ||
| 219 | P | 37.9 | Very low | 34.9 | Very low | 119 Ų | 119 | 130.7 Ų | 130.7 | 77% | 0.773 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 117.9 | 178.1 | 27.6 | -30.7 | 0 | 0 | 0 | 108.9 | S221 | P219-S221 PolarHBondContact O-N 2.87Š|
| 220 | L | 30.1 | Very low | 35.2 | Very low | 139 Ų | 139 | 134 Ų | 134 | 73% | 0.728 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 125.5 | 163.8 | -149.4 | 82.5 | 0 | 0 | 0 | 107.2 | M218 S222 | M218-L220 PolarHBondContact O-N 2.86Å; M218-L220 VanDerWaalsContact O-N 3.14Å; L220-S222 PolarHBondContact O-N 3.22Å |
| 221 | S | 39.8 | Very low | 35.7 | Very low | 78 Ų | 78 | 130.1 Ų | 130.1 | 55% | 0.545 | 69% | 0.693 | S | S | . | * | P | Polyproline II helix | trans | -47.6 | 125.3 | -173.1 | -173.7 | 0 | 0 | 0 | 0 | 111.4 | P219 K223 L224 | P219-S221 PolarHBondContact O-N 2.87Å; S221-K223 PolarHBondContact O-N 2.82Å; S221-L224 PolarHBondContact O-N 3.43Å; S221-L224 VanDerWaalsContact O-N 3.09Å |
| 222 | S | 44.9 | Very low | 36.4 | Very low | 93 Ų | 93 | 129.9 Ų | 129.9 | 65% | 0.65 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -51 | -12.4 | -177.4 | 56.6 | 0 | 0 | 0 | 0 | 115.3 | L220 T226 | L220-S222 PolarHBondContact O-N 3.22Å; S222-T226 WeakPolarHBondContact O-CB 3.29Å; S222-T226 WeakPolarHBondContact O-CG2 3.41Å; S222-T226 PolarHBondContact O-OG1 3.32Å |
| 223 | K | 40.6 | Very low | 37.2 | Very low | 165 Ų | 165 | 130.6 Ų | 130.6 | 72% | 0.717 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -75.4 | -30.4 | 176.6 | -80.9 | -179.7 | 174.8 | 175.8 | 0 | 115 | S221 T226 | S221-K223 PolarHBondContact O-N 2.82Å; K223-T226 WeakPolarHBondContact CA-OG1 2.98Å; K223-T226 PolarHBondContact O-OG1 3.08Å |
| 224 | L | 39 | Very low | 38.5 | Very low | 118 Ų | 118 | 126.5 Ų | 126.5 | 62% | 0.618 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -88.7 | -29.5 | -176.8 | -103.8 | 129.6 | 0 | 0 | 0 | 113 | S221 Q227 W228 | S221-L224 PolarHBondContact O-N 3.43Å; S221-L224 VanDerWaalsContact O-N 3.09Å; L224-Q227 PolarHBondContact O-N 3.16Å; L224-W228 PolarHBondContact O-N 2.88Å |
| 225 | Q | 35 | Very low | 39.3 | Very low | 140 Ų | 140 | 123 Ų | 123 | 65% | 0.654 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -78.6 | -28.8 | 176.3 | -159.3 | 160 | 4.5 | 0 | 0 | 112.5 | Q227 L229 | Q225-Q227 VanDerWaalsContact C-N 3.27Å; Q225-Q227 PolarHBondContact O-N 3.25Å; Q225-L229 PolarHBondContact O-N 3.4Å |
| 226 | T | 40.4 | Very low | 40.9 | Very low | 65 Ų | 65 | 120.6 Ų | 120.6 | 40% | 0.399 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -70.9 | -20.6 | 168.7 | 44.6 | 0 | 0 | 0 | 0 | 113 | S222 K223 R230 | S222-T226 WeakPolarHBondContact O-CB 3.29Å; S222-T226 WeakPolarHBondContact O-CG2 3.41Å; S222-T226 PolarHBondContact O-OG1 3.32Å; K223-T226 WeakPolarHBondContact CA-OG1 2.98Å; K223-T226 PolarHBondContact O-OG1 3.08Å; T226-R230 WeakPolarHBondContact O-CD 3.4Å; T226-R230 WeakPolarHBondContact O-CG 3.19Å; T226-R230 PolarHBondContact O-NE 3.17Å |
| 227 | Q | 36.8 | Very low | 41.9 | Very low | 110 Ų | 110 | 111.9 Ų | 111.9 | 51% | 0.514 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -79.2 | -41.8 | 177.7 | -165.6 | 68.1 | 35.4 | 0 | 0 | 112 | L224 Q225 | L224-Q227 PolarHBondContact O-N 3.16Å; Q225-Q227 VanDerWaalsContact C-N 3.27Å; Q225-Q227 PolarHBondContact O-N 3.25Å |
| 228 | W | 28.2 | Very low | 43.1 | Very low | 210 Ų | 210 | 110 Ų | 110 | 80% | 0.795 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -76.5 | -29.4 | 179.4 | -88.2 | 80.3 | 0 | 0 | 0 | 114 | L224 | L224-W228 PolarHBondContact O-N 2.88Å |
| 229 | L | 34.4 | Very low | 44.3 | Very low | 136 Ų | 136 | 110.9 Ų | 110.9 | 71% | 0.712 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -83.4 | -11.7 | 178 | -148.6 | 72.6 | 0 | 0 | 0 | 113.5 | Q225 D231 | Q225-L229 PolarHBondContact O-N 3.4Å; L229-D231 VanDerWaalsContact C-N 3.3Å |
| 230 | R | 38.5 | Very low | 45.3 | Very low | 157 Ų | 157 | 107.3 Ų | 107.3 | 59% | 0.592 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -73.5 | -19.6 | 172.2 | -84.5 | 171.5 | -171.2 | 164.1 | 2.4 | 113.2 | T226 | T226-R230 WeakPolarHBondContact O-CD 3.4Å; T226-R230 WeakPolarHBondContact O-CG 3.19Å; T226-R230 PolarHBondContact O-NE 3.17Å |
| 231 | D | 40.8 | Very low | 46.6 | Very low | 101 Ų | 101 | 106.8 Ų | 106.8 | 54% | 0.54 | 54% | 0.537 | S | S | . | . | G | 310 helix | trans | -87.9 | -7 | -172.8 | -100.4 | -15.5 | 0 | 0 | 0 | 115 | L229 | L229-D231 VanDerWaalsContact C-N 3.3Š|
| 232 | V | 43.8 | Very low | 47.2 | Very low | 115 Ų | 115 | 105.4 Ų | 105.4 | 70% | 0.697 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -102.8 | -11.4 | -171.5 | -173.1 | 0 | 0 | 0 | 0 | 113.8 | ||
| 233 | T | 51.3 | Low | 47.5 | Very low | 107 Ų | 107 | 105.7 Ų | 105.7 | 66% | 0.656 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -112.9 | -4.5 | -169.9 | 57.4 | 0 | 0 | 0 | 0 | 115.8 | ||
| 234 | T | 53.4 | Low | 48 | Very low | 59 Ų | 59 | 98.2 Ų | 98.2 | 36% | 0.362 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -106.1 | 108.7 | 174.5 | -48.2 | 0 | 0 | 0 | 0 | 108.7 | W236 P243 | T234-W236 PolarHBondContact O-N 3.06Å; T234-W236 VanDerWaalsContact O-N 3.15Å; T234-W236 PolarHBondContact O-NE1 3.49Å; T234-P243 HydrophobicContact CG2-CB 3.84Å |
| 235 | P | 57.2 | Low | 48.8 | Very low | 17 Ų | 17 | 97 Ų | 97 | 11% | 0.11 | 49% | 0.489 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 122.4 | 176.7 | 17.9 | -20 | 0 | 0 | 0 | 109.1 | S244 P246 I258 V261 | P235-S244 WeakPolarHBondContact O-CA 3.31Å; P235-S244 VanDerWaalsContact O-CB 3.25Å; P235-S244 WeakPolarHBondContact O-CB 3.17Å; P235-S244 PolarHBondContact O-N 2.98Å; P235-P246 HydrophobicContact CG-CB 4.35Å; P235-P246 HydrophobicContact CG-CG 4.43Å; P235-I258 HydrophobicContact CB-CG2 4.18Å; P235-V261 HydrophobicContact CB-CG2 3.9Å; P235-V261 HydrophobicContact CG-CG2 3.99Å |
| 236 | W | 63.2 | Low | 49.7 | Very low | 121 Ų | 121 | 93.5 Ų | 93.5 | 46% | 0.458 | 48% | 0.478 | S | S | . | . | B | Isolated β-bridge | trans | -93.1 | 146.6 | 174.5 | -66.4 | 1.3 | 0 | 0 | 0 | 109.7 | T234 P238 C242 | T234-W236 PolarHBondContact O-N 3.06Å; T234-W236 VanDerWaalsContact O-N 3.15Å; T234-W236 PolarHBondContact O-NE1 3.49Å; W236-P238 WeakPolarHBondContact O-CD 3.5Å; W236-C242 WeakPolarHBondContact CA-O 3.45Å |
| 237 | C | 60.8 | Low | 50.4 | Low | 0 Ų | 0 | 98.6 Ų | 98.6 | 0% | 0 | 50% | 0.495 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 124.4 | 172.7 | 177.4 | 0 | 0 | 0 | 0 | 109.3 | R239 C240 L241 C242 C251 | C237-R239 PolarHBondContact O-N 2.8Å; C237-R239 VanDerWaalsContact O-N 3.08Å; C237-C240 HydrophobicContact CB-CB 4.13Å; C237-C240 PolarHBondContact O-N 2.94Å; C237-L241 VanDerWaalsContact O-CA 3.31Å; C237-L241 WeakPolarHBondContact O-CA 3.45Å; C237-L241 PolarHBondContact O-N 3.15Å; C237-C242 PolarHBondContact N-O 3.46Å; C237-C251 HydrophobicContact CB-CB 4.11Å; C237-C251 VanDerWaalsContact SG-CB 3.56Å; C237-C251 VanDerWaalsContact SG-SG 3.61Å |
| 238 | P | 59.4 | Low | 51.3 | Low | 85 Ų | 85 | 94.4 Ų | 94.4 | 55% | 0.552 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -13.9 | -176.1 | 26.1 | -34.6 | 0 | 0 | 0 | 113.9 | W236 | W236-P238 WeakPolarHBondContact O-CD 3.5Š|
| 239 | R | 55.8 | Low | 53 | Low | 194 Ų | 194 | 89.6 Ų | 89.6 | 73% | 0.732 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | -28.8 | 177.3 | -69 | -166.1 | -179.6 | 158.8 | -4.5 | 114.1 | C237 A256 | C237-R239 PolarHBondContact O-N 2.8Å; C237-R239 VanDerWaalsContact O-N 3.08Å; R239-A256 HydrophobicContact CB-CB 4.39Å; R239-A256 HydrophobicContact CG-CB 4.12Å |
| 240 | C | 57.8 | Low | 54.4 | Low | 44 Ų | 44 | 89.6 Ų | 89.6 | 30% | 0.297 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.5 | -7.6 | -163.9 | -58.6 | 0 | 0 | 0 | 0 | 111.5 | C237 C242 C254 | C237-C240 HydrophobicContact CB-CB 4.13Å; C237-C240 PolarHBondContact O-N 2.94Å; C240-C242 PolarHBondContact O-N 3.09Å; C240-C242 PolarHBondContact O-SG 3.48Å; C240-C254 HydrophobicContact CB-CB 4.5Å; C240-C254 WeakPolarHBondContact CB-SG 3.25Å; C240-C254 WeakPolarHBondContact SG-CB 3.21Å; C240-C254 CovalentContact SG-SG 2.06Å; C240-C254 PolarHBondContact SG-SG 3.48Å |
| 241 | L | 58.4 | Low | 55.6 | Low | 127 Ų | 127 | 82.3 Ų | 82.3 | 67% | 0.665 | 43% | 0.429 | S | S | * | . | trans | 49.6 | 17.7 | -179.2 | -59.3 | 174.6 | 0 | 0 | 0 | 114.3 | C237 | C237-L241 VanDerWaalsContact O-CA 3.31Å; C237-L241 WeakPolarHBondContact O-CA 3.45Å; C237-L241 PolarHBondContact O-N 3.15Å | ||
| 242 | C | 52.3 | Low | 56.5 | Low | 49 Ų | 49 | 83.2 Ų | 83.2 | 33% | 0.331 | 44% | 0.44 | S | S | . | . | trans | -80.3 | 139.7 | 177.4 | -65.1 | 0 | 0 | 0 | 0 | 109.4 | W236 C237 C240 S244 | W236-C242 WeakPolarHBondContact CA-O 3.45Å; C237-C242 PolarHBondContact N-O 3.46Å; C240-C242 PolarHBondContact O-N 3.09Å; C240-C242 PolarHBondContact O-SG 3.48Å; C242-S244 PolarHBondContact O-N 3.15Å; C242-S244 PolarHBondContact O-OG 3.35Å | ||
| 243 | P | 51.1 | Low | 57 | Low | 99 Ų | 99 | 84.7 Ų | 84.7 | 64% | 0.643 | 44% | 0.439 | S | S | * | . | B | Isolated β-bridge | trans | -59.3 | 126.2 | 171.7 | 23.6 | -30.9 | 0 | 0 | 0 | 108.8 | T234 | T234-P243 HydrophobicContact CG2-CB 3.84Å |
| 244 | S | 51.1 | Low | 57.3 | Low | 9 Ų | 9 | 82.1 Ų | 82.1 | 6% | 0.063 | 43% | 0.425 | C | S | . | . | trans | -116.3 | 150.5 | -178.8 | -53.3 | 0 | 0 | 0 | 0 | 109.8 | P235 C242 | P235-S244 WeakPolarHBondContact O-CA 3.31Å; P235-S244 VanDerWaalsContact O-CB 3.25Å; P235-S244 WeakPolarHBondContact O-CB 3.17Å; P235-S244 PolarHBondContact O-N 2.98Å; C242-S244 PolarHBondContact O-N 3.15Å; C242-S244 PolarHBondContact O-OG 3.35Å | ||
| 245 | D | 55.5 | Low | 57.4 | Low | 91 Ų | 91 | 81.7 Ų | 81.7 | 49% | 0.487 | 43% | 0.432 | S | S | . | . | trans | -57.7 | 129.9 | 174 | 167.2 | 20.3 | 0 | 0 | 0 | 110 | F247 A248 | D245-F247 PolarHBondContact O-N 2.94Å; D245-F247 WeakPolarHBondContact OD1-CD2 3.09Å; D245-F247 PolarHBondContact OD1-N 3.01Å; D245-A248 HydrophobicContact CB-CB 3.99Å; D245-A248 WeakPolarHBondContact O-CB 3.36Å; D245-A248 PolarHBondContact O-N 3.29Å | ||
| 246 | P | 52.8 | Low | 57.4 | Low | 67 Ų | 67 | 81.2 Ų | 81.2 | 44% | 0.435 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.8 | -26.9 | 172.7 | -29.1 | 35.2 | 0 | 0 | 0 | 115.7 | P235 | P235-P246 HydrophobicContact CG-CB 4.35Å; P235-P246 HydrophobicContact CG-CG 4.43Å |
| 247 | F | 54.9 | Low | 57.2 | Low | 173 Ų | 173 | 80.2 Ų | 80.2 | 76% | 0.759 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | -7 | -179.4 | -55.1 | -74.3 | 0 | 0 | 0 | 113.8 | D245 | D245-F247 PolarHBondContact O-N 2.94Å; D245-F247 WeakPolarHBondContact OD1-CD2 3.09Å; D245-F247 PolarHBondContact OD1-N 3.01Å |
| 248 | A | 56.9 | Low | 57.2 | Low | 21 Ų | 21 | 80.3 Ų | 80.3 | 17% | 0.174 | 44% | 0.437 | C | S | . | . | trans | -69.4 | 136.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | D245 I258 | D245-A248 HydrophobicContact CB-CB 3.99Å; D245-A248 WeakPolarHBondContact O-CB 3.36Å; D245-A248 PolarHBondContact O-N 3.29Å; A248-I258 HydrophobicContact CB-CD1 3.8Å | ||
| 249 | R | 62.7 | Low | 56.9 | Low | 110 Ų | 110 | 80 Ų | 80 | 42% | 0.415 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -94.1 | -22.8 | 173.8 | -61.5 | -66.8 | 77.2 | -155.3 | -8.9 | 112.6 | V257 I258 | R249-V257 WeakPolarHBondContact O-CA 3.03Å; R249-I258 PolarHBondContact O-N 2.86Å |
| 250 | F | 65.7 | Low | 56.6 | Low | 136 Ų | 136 | 75.1 Ų | 75.1 | 60% | 0.596 | 43% | 0.429 | S | S | * | . | B | Isolated β-bridge | trans | -134.8 | 145.7 | -179.4 | -54.1 | -84.1 | 0 | 0 | 0 | 110.2 | A256 V257 | F250-A256 CarbonylContact C-O 3.46Å; F250-A256 WeakPolarHBondContact CA-O 3.3Å; F250-V257 HydrophobicContact CD1-CG2 4.01Å; F250-V257 HydrophobicContact CE1-CG2 3.85Å |
| 251 | C | 63.5 | Low | 56.2 | Low | 4 Ų | 4 | 77 Ų | 77 | 3% | 0.027 | 44% | 0.439 | C | S | . | . | trans | -71.9 | 126.6 | 174.9 | -179.1 | 0 | 0 | 0 | 0 | 110.6 | C237 Q253 G255 A256 I258 | C237-C251 HydrophobicContact CB-CB 4.11Å; C237-C251 VanDerWaalsContact SG-CB 3.56Å; C237-C251 VanDerWaalsContact SG-SG 3.61Å; C251-Q253 PolarHBondContact O-N 3.43Å; C251-G255 VanDerWaalsContact O-CA 3.29Å; C251-G255 WeakPolarHBondContact O-CA 3.4Å; C251-G255 PolarHBondContact O-N 3.46Å; C251-A256 HydrophobicContact CB-CB 4.47Å; C251-A256 PolarHBondContact N-O 3.16Å; C251-I258 HydrophobicContact CB-CD1 4.5Å | ||
| 252 | P | 58.2 | Low | 55.3 | Low | 119 Ų | 119 | 76.5 Ų | 76.5 | 77% | 0.773 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -11.6 | -178.9 | 28.9 | -35.5 | 0 | 0 | 0 | 113.9 | ||
| 253 | Q | 54.1 | Low | 54.7 | Low | 146 Ų | 146 | 77.6 Ų | 77.6 | 68% | 0.682 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -40.9 | 178.9 | -82.1 | -74.5 | -26 | 0 | 0 | 113 | C251 | C251-Q253 PolarHBondContact O-N 3.43Š|
| 254 | C | 58.5 | Low | 53.8 | Low | 54 Ų | 54 | 81.4 Ų | 81.4 | 37% | 0.365 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.9 | 3.4 | -170.3 | 54 | 0 | 0 | 0 | 0 | 114.6 | C240 A256 | C240-C254 HydrophobicContact CB-CB 4.5Å; C240-C254 WeakPolarHBondContact CB-SG 3.25Å; C240-C254 WeakPolarHBondContact SG-CB 3.21Å; C240-C254 CovalentContact SG-SG 2.06Å; C240-C254 PolarHBondContact SG-SG 3.48Å; C254-A256 PolarHBondContact O-N 3.49Å; C254-A256 VanDerWaalsContact O-N 3.09Å |
| 255 | G | 54.8 | Low | 53.2 | Low | 50 Ų | 50 | 91.4 Ų | 91.4 | 52% | 0.515 | 51% | 0.506 | S | S | . | . | trans | 70.7 | 0.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | C251 | C251-G255 VanDerWaalsContact O-CA 3.29Å; C251-G255 WeakPolarHBondContact O-CA 3.4Å; C251-G255 PolarHBondContact O-N 3.46Å | ||
| 256 | A | 59.2 | Low | 52 | Low | 6 Ų | 6 | 92.3 Ų | 92.3 | 5% | 0.05 | 52% | 0.517 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 139.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | R239 F250 C251 C254 I258 | R239-A256 HydrophobicContact CB-CB 4.39Å; R239-A256 HydrophobicContact CG-CB 4.12Å; F250-A256 CarbonylContact C-O 3.46Å; F250-A256 WeakPolarHBondContact CA-O 3.3Å; C251-A256 HydrophobicContact CB-CB 4.47Å; C251-A256 PolarHBondContact N-O 3.16Å; C254-A256 PolarHBondContact O-N 3.49Å; C254-A256 VanDerWaalsContact O-N 3.09Å; A256-I258 PolarHBondContact O-N 3.36Å |
| 257 | V | 58.5 | Low | 51.1 | Low | 101 Ų | 101 | 94.6 Ų | 94.6 | 61% | 0.612 | 53% | 0.531 | S | S | * | . | B | Isolated β-bridge | trans | -64.1 | 129.9 | 175.2 | -178 | 0 | 0 | 0 | 0 | 109.4 | R249 F250 | R249-V257 WeakPolarHBondContact O-CA 3.03Å; F250-V257 HydrophobicContact CD1-CG2 4.01Å; F250-V257 HydrophobicContact CE1-CG2 3.85Å |
| 258 | I | 61.2 | Low | 50.2 | Low | 2 Ų | 2 | 92.6 Ų | 92.6 | 1% | 0.01 | 54% | 0.536 | C | S | . | . | P | Polyproline II helix | trans | -91.7 | 122.1 | 176.4 | -61 | 167.1 | 0 | 0 | 0 | 107.9 | P235 A248 R249 C251 A256 | P235-I258 HydrophobicContact CB-CG2 4.18Å; A248-I258 HydrophobicContact CB-CD1 3.8Å; R249-I258 PolarHBondContact O-N 2.86Å; C251-I258 HydrophobicContact CB-CD1 4.5Å; A256-I258 PolarHBondContact O-N 3.36Å |
| 259 | P | 51.2 | Low | 49.3 | Very low | 79 Ų | 79 | 96 Ų | 96 | 51% | 0.513 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -57.4 | 137 | 177.3 | -20.4 | 30.6 | 0 | 0 | 0 | 110.6 | V261 | P259-V261 PolarHBondContact O-N 3.34Š|
| 260 | P | 50.3 | Low | 48.1 | Very low | 91 Ų | 91 | 94.2 Ų | 94.2 | 59% | 0.591 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 128.1 | 168.9 | 22.8 | -28.4 | 0 | 0 | 0 | 109.6 | ||
| 261 | V | 49.1 | Very low | 46.8 | Very low | 83 Ų | 83 | 99.7 Ų | 99.7 | 50% | 0.503 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -63.4 | 127.2 | 170.5 | -176.3 | 0 | 0 | 0 | 0 | 107.5 | P235 P259 A263 | P235-V261 HydrophobicContact CB-CG2 3.9Å; P235-V261 HydrophobicContact CG-CG2 3.99Å; P259-V261 PolarHBondContact O-N 3.34Å; V261-A263 PolarHBondContact O-N 2.85Å |
| 262 | P | 40.6 | Very low | 46.3 | Very low | 117 Ų | 117 | 103 Ų | 103 | 76% | 0.76 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 121.9 | 173.8 | -22.4 | 32.8 | 0 | 0 | 0 | 109.5 | L264 | P262-L264 PolarHBondContact O-N 3.47Š|
| 263 | A | 39.1 | Very low | 46.3 | Very low | 72 Ų | 72 | 103.7 Ų | 103.7 | 60% | 0.595 | 62% | 0.624 | S | S | * | * | trans | -67.8 | 113.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V261 R265 | V261-A263 PolarHBondContact O-N 2.85Å; A263-R265 HydrophobicContact CB-CB 4.4Å; A263-R265 HydrophobicContact CB-CG 4Å; A263-R265 PolarHBondContact O-N 2.86Å | ||
| 264 | L | 33.3 | Very low | 46.8 | Very low | 178 Ų | 178 | 101.9 Ų | 101.9 | 93% | 0.932 | 62% | 0.618 | S | S | * | * | trans | -81.1 | 80.4 | 145.4 | -75.6 | 169.3 | 0 | 0 | 0 | 107.2 | P262 P266 | P262-L264 PolarHBondContact O-N 3.47Å; L264-P266 WeakPolarHBondContact O-CD 3.39Å | ||
| 265 | R | 37.3 | Very low | 46.8 | Very low | 219 Ų | 219 | 99.6 Ų | 99.6 | 83% | 0.826 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 116 | 168.3 | -92.6 | 171.9 | -178 | 167.7 | 0.9 | 108.4 | A263 | A263-R265 HydrophobicContact CB-CB 4.4Å; A263-R265 HydrophobicContact CB-CG 4Å; A263-R265 PolarHBondContact O-N 2.86Å |
| 266 | P | 31 | Very low | 47.3 | Very low | 111 Ų | 111 | 100.4 Ų | 100.4 | 72% | 0.721 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 148 | 147.5 | -11 | 27 | 0 | 0 | 0 | 108.5 | L264 | L264-P266 WeakPolarHBondContact O-CD 3.39Š|
| 267 | P | 33.2 | Very low | 47.8 | Very low | 114 Ų | 114 | 100.1 Ų | 100.1 | 74% | 0.74 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 151.3 | -177.8 | 26.6 | -33.3 | 0 | 0 | 0 | 110.8 | A269 | P267-A269 PolarHBondContact O-N 3.04Š|
| 268 | P | 35.8 | Very low | 47.9 | Very low | 132 Ų | 132 | 99.1 Ų | 99.1 | 86% | 0.857 | 59% | 0.592 | S | S | * | * | trans | -61.7 | 112.8 | 176.7 | 25 | -31.5 | 0 | 0 | 0 | 109.4 | G270 | P268-G270 PolarHBondContact O-N 3.29Š| ||
| 269 | A | 37.5 | Very low | 47.8 | Very low | 92 Ų | 92 | 103.2 Ų | 103.2 | 76% | 0.76 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 132.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | P267 | P267-A269 PolarHBondContact O-N 3.04Š|
| 270 | G | 37.6 | Very low | 48.1 | Very low | 72 Ų | 72 | 101.6 Ų | 101.6 | 74% | 0.742 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 157.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | P268 G272 | P268-G270 PolarHBondContact O-N 3.29Å; G270-G272 PolarHBondContact O-N 2.68Å |
| 271 | R | 38.3 | Very low | 48.4 | Very low | 252 Ų | 252 | 107.3 Ų | 107.3 | 95% | 0.951 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -49.4 | 128.4 | -179.6 | -62.5 | 170.6 | 175.3 | -98.3 | 1.1 | 111.3 | ||
| 272 | G | 52.9 | Low | 48.9 | Very low | 73 Ų | 73 | 105.3 Ų | 105.3 | 75% | 0.753 | 61% | 0.61 | S | S | * | * | trans | 112.7 | 11.4 | 136.1 | 0 | 0 | 0 | 0 | 0 | 121.4 | G270 | G270-G272 PolarHBondContact O-N 2.68Š| ||
| 273 | Q | 58.4 | Low | 50.1 | Low | 134 Ų | 134 | 105.5 Ų | 105.5 | 63% | 0.626 | 60% | 0.604 | S | S | * | * | trans | -125.9 | 84 | 173.6 | -78 | 132.4 | 29.5 | 0 | 0 | 112.3 | I286 | Q273-I286 HydrophobicContact CB-CB 3.83Å; Q273-I286 HydrophobicContact CB-CD1 4.07Å; Q273-I286 HydrophobicContact CB-CG2 3.44Å; Q273-I286 VanDerWaalsContact CB-CG2 3.44Å; Q273-I286 HydrophobicContact CG-CD1 4.2Å; Q273-I286 HydrophobicContact CG-CG2 4.44Å; Q273-I286 WeakPolarHBondContact O-CB 3.47Å; Q273-I286 PolarHBondContact O-N 3.26Å | ||
| 274 | L | 64.4 | Low | 51.3 | Low | 108 Ų | 108 | 102.3 Ų | 102.3 | 57% | 0.565 | 58% | 0.577 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.9 | 136.7 | 165.7 | -62.3 | 172 | 0 | 0 | 0 | 108 | L283 V284 P285 | L274-L283 HydrophobicContact CB-CB 4.3Å; L274-L283 HydrophobicContact CD1-CB 4.3Å; L274-V284 CarbonylContact C-O 3.45Å; L274-V284 VanDerWaalsContact CA-O 3.24Å; L274-V284 WeakPolarHBondContact CA-O 3.48Å; L274-P285 HydrophobicContact CD2-CG 4.29Å |
| 275 | L | 60.1 | Low | 52.8 | Low | 5 Ų | 5 | 95.3 Ų | 95.3 | 3% | 0.026 | 54% | 0.542 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 148.9 | 173.3 | 67.8 | 82.8 | 0 | 0 | 0 | 110.3 | V284 I286 T298 | L275-V284 HydrophobicContact CD1-CG2 3.39Å; L275-V284 HydrophobicContact CG-CG2 3.86Å; L275-V284 PolarHBondContact N-O 2.8Å; L275-V284 WeakPolarHBondContact O-CG2 3.34Å; L275-V284 PolarHBondContact O-N 3.2Å; L275-I286 HydrophobicContact CD2-CG1 4.3Å; L275-T298 HydrophobicContact CD1-CG2 4.28Å |
| 276 | P | 63.8 | Low | 53.9 | Low | 67 Ų | 67 | 88 Ų | 88 | 44% | 0.435 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 131 | 170 | 29.8 | -31.2 | 0 | 0 | 0 | 110.2 | S301 | P276-S301 PolarHBondContact O-OG 3.22Å; P276-S301 VanDerWaalsContact O-OG 3.11Å |
| 277 | C | 69.6 | Low | 55.2 | Low | 1 Ų | 1 | 88.9 Ų | 88.9 | 1% | 0.007 | 52% | 0.518 | C | S | . | . | trans | -61.6 | 134.9 | 173 | 175 | 0 | 0 | 0 | 0 | 110.8 | S279 C280 R281 C282 C291 C294 | C277-S279 PolarHBondContact O-N 2.97Å; C277-S279 PolarHBondContact SG-N 3.31Å; C277-C280 VanDerWaalsContact SG-SG 3.7Å; C277-R281 WeakPolarHBondContact O-CA 3.25Å; C277-R281 PolarHBondContact O-N 3.24Å; C277-C282 PolarHBondContact N-O 3.26Å; C277-C291 HydrophobicContact CB-CB 4.11Å; C277-C294 PolarHBondContact SG-SG 2.82Å | ||
| 278 | P | 62 | Low | 56.5 | Low | 80 Ų | 80 | 84 Ų | 84 | 52% | 0.519 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -20.8 | -177.6 | 27.1 | -33 | 0 | 0 | 0 | 113.4 | S301 | P278-S301 WeakPolarHBondContact CD-OG 3.49Š|
| 279 | S | 57.7 | Low | 57.8 | Low | 88 Ų | 88 | 83.8 Ų | 83.8 | 62% | 0.615 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -51.9 | -179.4 | -178.5 | 0 | 0 | 0 | 0 | 112.6 | C277 | C277-S279 PolarHBondContact O-N 2.97Å; C277-S279 PolarHBondContact SG-N 3.31Å |
| 280 | C | 58.4 | Low | 58.8 | Low | 45 Ų | 45 | 82.9 Ų | 82.9 | 30% | 0.304 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | 0.2 | -172.7 | 57 | 0 | 0 | 0 | 0 | 114.9 | C277 C282 C291 C294 | C277-C280 VanDerWaalsContact SG-SG 3.7Å; C280-C282 PolarHBondContact O-N 3.13Å; C280-C291 PolarHBondContact SG-SG 3.17Å; C280-C294 HydrophobicContact CB-CB 3.7Å; C280-C294 WeakPolarHBondContact CB-SG 3.24Å; C280-C294 WeakPolarHBondContact SG-CB 3.27Å; C280-C294 CovalentContact SG-SG 2.07Å; C280-C294 PolarHBondContact SG-SG 3.22Å |
| 281 | R | 56.3 | Low | 60.1 | Low | 210 Ų | 210 | 79.5 Ų | 79.5 | 79% | 0.792 | 42% | 0.424 | S | S | * | . | trans | 57.9 | 6.8 | -179.2 | -64.2 | -169.3 | 175 | 173.3 | -0.9 | 116.7 | C277 | C277-R281 WeakPolarHBondContact O-CA 3.25Å; C277-R281 PolarHBondContact O-N 3.24Å | ||
| 282 | C | 60.4 | Low | 61.3 | Low | 41 Ų | 41 | 77 Ų | 77 | 28% | 0.277 | 41% | 0.414 | S | S | . | . | trans | -60.4 | 140.8 | 170.5 | -61.6 | 0 | 0 | 0 | 0 | 110.5 | C277 C280 V284 | C277-C282 PolarHBondContact N-O 3.26Å; C280-C282 PolarHBondContact O-N 3.13Å; C282-V284 PolarHBondContact O-N 2.88Å | ||
| 283 | L | 64.2 | Low | 61.7 | Low | 122 Ų | 122 | 78.4 Ų | 78.4 | 64% | 0.639 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 119.4 | 177 | -64.1 | 177.5 | 0 | 0 | 0 | 109.3 | L274 | L274-L283 HydrophobicContact CB-CB 4.3Å; L274-L283 HydrophobicContact CD1-CB 4.3Å |
| 284 | V | 65.2 | Low | 61.5 | Low | 5 Ų | 5 | 74.2 Ų | 74.2 | 3% | 0.03 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 149.7 | -178.6 | -63.6 | 0 | 0 | 0 | 0 | 109.9 | L274 L275 C282 C291 T298 | L274-V284 CarbonylContact C-O 3.45Å; L274-V284 VanDerWaalsContact CA-O 3.24Å; L274-V284 WeakPolarHBondContact CA-O 3.48Å; L275-V284 HydrophobicContact CD1-CG2 3.39Å; L275-V284 HydrophobicContact CG-CG2 3.86Å; L275-V284 PolarHBondContact N-O 2.8Å; L275-V284 WeakPolarHBondContact O-CG2 3.34Å; L275-V284 PolarHBondContact O-N 3.2Å; C282-V284 PolarHBondContact O-N 2.88Å; V284-C291 HydrophobicContact CG1-CB 4.14Å; V284-T298 HydrophobicContact CG2-CG2 3.75Å |
| 285 | P | 65.6 | Low | 61.7 | Low | 30 Ų | 30 | 77 Ų | 77 | 20% | 0.195 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 140.5 | 176.6 | -25.2 | 35.3 | 0 | 0 | 0 | 112.6 | L274 N287 S288 W292 | L274-P285 HydrophobicContact CD2-CG 4.29Å; P285-N287 WeakPolarHBondContact CB-OD1 3.12Å; P285-N287 PolarHBondContact O-N 3.48Å; P285-N287 VanDerWaalsContact O-N 3.12Å; P285-S288 VanDerWaalsContact O-CB 3.31Å; P285-S288 WeakPolarHBondContact O-CB 3.11Å; P285-S288 PolarHBondContact O-N 3.3Å; P285-S288 PolarHBondContact O-OG 3.15Å; P285-W292 HydrophobicContact CG-CH2 4.23Å |
| 286 | I | 59.9 | Low | 62 | Low | 67 Ų | 67 | 78 Ų | 78 | 34% | 0.344 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -26.4 | 179.3 | -166.1 | 164.6 | 0 | 0 | 0 | 113.4 | Q273 L275 | Q273-I286 HydrophobicContact CB-CB 3.83Å; Q273-I286 HydrophobicContact CB-CD1 4.07Å; Q273-I286 HydrophobicContact CB-CG2 3.44Å; Q273-I286 VanDerWaalsContact CB-CG2 3.44Å; Q273-I286 HydrophobicContact CG-CD1 4.2Å; Q273-I286 HydrophobicContact CG-CG2 4.44Å; Q273-I286 WeakPolarHBondContact O-CB 3.47Å; Q273-I286 PolarHBondContact O-N 3.26Å; L275-I286 HydrophobicContact CD2-CG1 4.3Å |
| 287 | N | 58.8 | Low | 62.2 | Low | 129 Ų | 129 | 77.6 Ų | 77.6 | 69% | 0.69 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -3 | 177 | 66.3 | -30.3 | 0 | 0 | 0 | 113.4 | P285 | P285-N287 WeakPolarHBondContact CB-OD1 3.12Å; P285-N287 PolarHBondContact O-N 3.48Å; P285-N287 VanDerWaalsContact O-N 3.12Å |
| 288 | S | 60.6 | Low | 61.9 | Low | 11 Ų | 11 | 77.5 Ų | 77.5 | 8% | 0.077 | 41% | 0.411 | C | S | . | . | trans | -78.3 | 130.2 | 172.8 | 69.9 | 0 | 0 | 0 | 0 | 109.4 | P285 T298 | P285-S288 VanDerWaalsContact O-CB 3.31Å; P285-S288 WeakPolarHBondContact O-CB 3.11Å; P285-S288 PolarHBondContact O-N 3.3Å; P285-S288 PolarHBondContact O-OG 3.15Å; S288-T298 PolarHBondContact O-OG1 3.17Å | ||
| 289 | Q | 61.7 | Low | 62 | Low | 127 Ų | 127 | 77.5 Ų | 77.5 | 59% | 0.593 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -89.8 | -11.2 | 176.2 | -61.7 | -163 | 5 | 0 | 0 | 112.7 | T298 | Q289-T298 WeakPolarHBondContact CA-OG1 3.27Å; Q289-T298 PolarHBondContact O-N 2.89Å; Q289-T298 PolarHBondContact O-OG1 3.34Å |
| 290 | T | 59.4 | Low | 62 | Low | 74 Ų | 74 | 75.9 Ų | 75.9 | 45% | 0.454 | 40% | 0.403 | S | S | . | . | B | Isolated β-bridge | trans | -139.5 | 142 | -178.6 | 51.9 | 0 | 0 | 0 | 0 | 110.3 | W292 | T290-W292 PolarHBondContact O-N 3.46Å |
| 291 | C | 64.4 | Low | 61.9 | Low | 1 Ų | 1 | 74.6 Ų | 74.6 | 1% | 0.007 | 40% | 0.395 | C | S | . | . | trans | -75.5 | 124.4 | 175.6 | -179.5 | 0 | 0 | 0 | 0 | 110.8 | C277 C280 V284 T293 E295 A296 | C277-C291 HydrophobicContact CB-CB 4.11Å; C280-C291 PolarHBondContact SG-SG 3.17Å; V284-C291 HydrophobicContact CG1-CB 4.14Å; C291-T293 PolarHBondContact O-N 3.14Å; C291-T293 VanDerWaalsContact O-N 3.13Å; C291-T293 PolarHBondContact SG-N 3.42Å; C291-T293 VanDerWaalsContact SG-N 3.42Å; C291-E295 WeakPolarHBondContact O-CA 3.33Å; C291-E295 PolarHBondContact O-N 2.91Å; C291-A296 PolarHBondContact N-O 2.72Å | ||
| 292 | W | 63.5 | Low | 61.8 | Low | 199 Ų | 199 | 70.5 Ų | 70.5 | 75% | 0.754 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -5.7 | 179.2 | -57.5 | -20.9 | 0 | 0 | 0 | 114.6 | P285 T290 | P285-W292 HydrophobicContact CG-CH2 4.23Å; T290-W292 PolarHBondContact O-N 3.46Å |
| 293 | T | 62.1 | Low | 61.3 | Low | 102 Ų | 102 | 72 Ų | 72 | 63% | 0.626 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -41 | 178.9 | -50.8 | 0 | 0 | 0 | 0 | 112.5 | C291 | C291-T293 PolarHBondContact O-N 3.14Å; C291-T293 VanDerWaalsContact O-N 3.13Å; C291-T293 PolarHBondContact SG-N 3.42Å; C291-T293 VanDerWaalsContact SG-N 3.42Å |
| 294 | C | 54 | Low | 60.5 | Low | 46 Ų | 46 | 71.1 Ų | 71.1 | 31% | 0.311 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.1 | 5.9 | -176.1 | 59.2 | 0 | 0 | 0 | 0 | 113.8 | C277 C280 A296 | C277-C294 PolarHBondContact SG-SG 2.82Å; C280-C294 HydrophobicContact CB-CB 3.7Å; C280-C294 WeakPolarHBondContact CB-SG 3.24Å; C280-C294 WeakPolarHBondContact SG-CB 3.27Å; C280-C294 CovalentContact SG-SG 2.07Å; C280-C294 PolarHBondContact SG-SG 3.22Å; C294-A296 PolarHBondContact O-N 3.14Å |
| 295 | E | 68.7 | Low | 59.3 | Low | 167 Ų | 167 | 78.2 Ų | 78.2 | 78% | 0.78 | 43% | 0.43 | S | S | * | . | trans | 57.9 | 1.9 | 178.2 | -60.1 | -178.8 | 177.3 | 0 | 0 | 115.5 | C291 | C291-E295 WeakPolarHBondContact O-CA 3.33Å; C291-E295 PolarHBondContact O-N 2.91Å | ||
| 296 | A | 64.8 | Low | 58.1 | Low | 26 Ų | 26 | 81.6 Ų | 81.6 | 22% | 0.215 | 45% | 0.454 | C | S | . | . | trans | -66.9 | 144.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | C291 C294 | C291-A296 PolarHBondContact N-O 2.72Å; C294-A296 PolarHBondContact O-N 3.14Å | ||
| 297 | S | 68.4 | Low | 57 | Low | 58 Ų | 58 | 85.7 Ų | 85.7 | 41% | 0.406 | 48% | 0.476 | S | S | . | . | B | Isolated β-bridge | trans | -62.3 | 140.1 | 176.2 | 167.1 | 0 | 0 | 0 | 0 | 111.3 | D299 | S297-D299 WeakPolarHBondContact OG-CB 3.23Å; S297-D299 PolarHBondContact OG-N 2.81Å; S297-D299 VanDerWaalsContact OG-N 3.12Å; S297-D299 PolarHBondContact OG-OD2 3.2Å |
| 298 | T | 64.8 | Low | 56.1 | Low | 0 Ų | 0 | 88.5 Ų | 88.5 | 0% | 0 | 49% | 0.485 | C | S | . | . | trans | -95.8 | 1 | 177.5 | 56.4 | 0 | 0 | 0 | 0 | 112.7 | L275 V284 S288 Q289 G300 S301 | L275-T298 HydrophobicContact CD1-CG2 4.28Å; V284-T298 HydrophobicContact CG2-CG2 3.75Å; S288-T298 PolarHBondContact O-OG1 3.17Å; Q289-T298 WeakPolarHBondContact CA-OG1 3.27Å; Q289-T298 PolarHBondContact O-N 2.89Å; Q289-T298 PolarHBondContact O-OG1 3.34Å; T298-G300 PolarHBondContact O-N 3.21Å; T298-S301 PolarHBondContact O-N 3.24Å | ||
| 299 | D | 63.6 | Low | 54.9 | Low | 80 Ų | 80 | 94.5 Ų | 94.5 | 43% | 0.428 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.2 | -30.7 | -175.6 | -66.8 | -44.1 | 0 | 0 | 0 | 112.8 | S297 S301 R302 | S297-D299 WeakPolarHBondContact OG-CB 3.23Å; S297-D299 PolarHBondContact OG-N 2.81Å; S297-D299 VanDerWaalsContact OG-N 3.12Å; S297-D299 PolarHBondContact OG-OD2 3.2Å; D299-S301 VanDerWaalsContact C-N 3.27Å; D299-S301 PolarHBondContact O-N 3.33Å; D299-R302 PolarHBondContact O-N 2.96Å; D299-R302 IonicContact OD1-NH1 3.6Å |
| 300 | G | 58.3 | Low | 53.3 | Low | 53 Ų | 53 | 96.1 Ų | 96.1 | 55% | 0.546 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.2 | -27.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | T298 | T298-G300 PolarHBondContact O-N 3.21Å |
| 301 | S | 54.6 | Low | 52.5 | Low | 19 Ų | 19 | 101.3 Ų | 101.3 | 13% | 0.133 | 55% | 0.552 | C | S | . | * | H | α-helix | trans | -85.4 | -15 | 179 | -60.9 | 0 | 0 | 0 | 0 | 113.1 | P276 P278 T298 D299 | P276-S301 PolarHBondContact O-OG 3.22Å; P276-S301 VanDerWaalsContact O-OG 3.11Å; P278-S301 WeakPolarHBondContact CD-OG 3.49Å; T298-S301 PolarHBondContact O-N 3.24Å; D299-S301 VanDerWaalsContact C-N 3.27Å; D299-S301 PolarHBondContact O-N 3.33Å |
| 302 | R | 55.3 | Low | 50.7 | Low | 124 Ų | 124 | 104.7 Ų | 104.7 | 47% | 0.468 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -78.4 | -29.6 | 177.5 | -72.9 | 170.9 | 69.7 | -175.4 | 3.6 | 112.5 | D299 S304 F305 | D299-R302 PolarHBondContact O-N 2.96Å; D299-R302 IonicContact OD1-NH1 3.6Å; R302-S304 VanDerWaalsContact C-N 3.3Å; R302-S304 PolarHBondContact O-N 2.86Å; R302-F305 PolarHBondContact O-N 3.33Å |
| 303 | A | 48.7 | Very low | 49.7 | Very low | 73 Ų | 73 | 99.7 Ų | 99.7 | 60% | 0.603 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -26.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 304 | S | 48.2 | Very low | 48.3 | Very low | 103 Ų | 103 | 98.3 Ų | 98.3 | 72% | 0.72 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -15.2 | -180 | -60.3 | 0 | 0 | 0 | 0 | 114.8 | R302 | R302-S304 VanDerWaalsContact C-N 3.3Å; R302-S304 PolarHBondContact O-N 2.86Å |
| 305 | F | 40.1 | Very low | 47.2 | Very low | 154 Ų | 154 | 102 Ų | 102 | 68% | 0.675 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | -6.4 | 179.6 | -83.5 | -84.4 | 0 | 0 | 0 | 113.8 | R302 | R302-F305 PolarHBondContact O-N 3.33Š|
| 306 | S | 41.2 | Very low | 45.7 | Very low | 101 Ų | 101 | 98.4 Ų | 98.4 | 71% | 0.706 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -95.7 | 10.1 | -175.6 | -156.4 | 0 | 0 | 0 | 0 | 114.7 | ||
| 307 | L | 36.2 | Very low | 44.4 | Very low | 153 Ų | 153 | 103 Ų | 103 | 80% | 0.801 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -118.5 | 68.5 | 171.3 | -76.2 | 168.6 | 0 | 0 | 0 | 109.6 | ||
| 308 | Q | 39.5 | Very low | 43.2 | Very low | 188 Ų | 188 | 106.2 Ų | 106.2 | 88% | 0.879 | 68% | 0.679 | S | S | * | * | trans | -178.7 | 59.1 | 156.4 | -101.9 | 170.6 | 15.4 | 0 | 0 | 110.4 | ||||
| 309 | V | 35.7 | Very low | 41.7 | Very low | 136 Ų | 136 | 111.6 Ų | 111.6 | 82% | 0.824 | 72% | 0.717 | S | S | * | * | trans | -130.6 | 80.8 | 155.3 | -178.9 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 310 | D | 28.3 | Very low | 40.3 | Very low | 161 Ų | 161 | 110.6 Ų | 110.6 | 86% | 0.861 | 73% | 0.725 | S | S | * | * | trans | -93.5 | 135.2 | 161.9 | -154.8 | -96.2 | 0 | 0 | 0 | 108.2 | G312 | D310-G312 PolarHBondContact O-N 3.5Š| ||
| 311 | Q | 41.6 | Very low | 39.6 | Very low | 183 Ų | 183 | 114.5 Ų | 114.5 | 86% | 0.855 | 74% | 0.741 | S | S | * | * | trans | -77.5 | 119.3 | -168.4 | -66 | 166.2 | 35.2 | 0 | 0 | 110.1 | ||||
| 312 | G | 28.1 | Very low | 39 | Very low | 73 Ų | 73 | 119.3 Ų | 119.3 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | trans | -150.4 | 104 | 170 | 0 | 0 | 0 | 0 | 0 | 110.6 | D310 | D310-G312 PolarHBondContact O-N 3.5Š| ||
| 313 | G | 41.4 | Very low | 38.4 | Very low | 93 Ų | 93 | 120.8 Ų | 120.8 | 96% | 0.959 | 79% | 0.786 | S | S | * | * | trans | -62.6 | 137.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 314 | G | 32 | Very low | 38.6 | Very low | 74 Ų | 74 | 121.8 Ų | 121.8 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | trans | -169.9 | 122.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 315 | S | 31.3 | Very low | 39.3 | Very low | 123 Ų | 123 | 120.9 Ų | 120.9 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | -52.7 | 155.9 | -170.2 | -54.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 316 | A | 37.7 | Very low | 41 | Very low | 92 Ų | 92 | 117.9 Ų | 117.9 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | trans | -55.7 | 140.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 317 | P | 36.7 | Very low | 42.6 | Very low | 121 Ų | 121 | 115.4 Ų | 115.4 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | trans | -87.3 | 108.3 | 156.1 | 31.5 | -23.6 | 0 | 0 | 0 | 108.7 | S319 | P317-S319 PolarHBondContact O-N 2.88Š| ||
| 318 | S | 44.7 | Very low | 44.7 | Very low | 126 Ų | 126 | 111.8 Ų | 111.8 | 88% | 0.881 | 74% | 0.735 | S | S | * | * | trans | -63.7 | 115.8 | 160.7 | -163.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 319 | S | 32.7 | Very low | 46.6 | Very low | 114 Ų | 114 | 102.9 Ų | 102.9 | 80% | 0.797 | 69% | 0.693 | S | S | * | * | trans | -118.6 | 134.9 | 167 | 49.5 | 0 | 0 | 0 | 0 | 108.4 | P317 | P317-S319 PolarHBondContact O-N 2.88Š| ||
| 320 | G | 33.2 | Very low | 48.6 | Very low | 58 Ų | 58 | 101 Ų | 101 | 60% | 0.598 | 69% | 0.686 | S | S | * | * | trans | -77.1 | -161.5 | -157.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | V322 | G320-V322 PolarHBondContact O-N 3.44Š| ||
| 321 | P | 44.1 | Very low | 50.7 | Low | 136 Ų | 136 | 97.2 Ų | 97.2 | 88% | 0.883 | 67% | 0.672 | S | S | * | * | trans | -71 | 104.6 | -157 | 29.8 | -32.7 | 0 | 0 | 0 | 110.3 | D323 | P321-D323 PolarHBondContact O-N 2.8Å; P321-D323 VanDerWaalsContact O-N 3.16Å | ||
| 322 | V | 42.6 | Very low | 52.6 | Low | 119 Ų | 119 | 90.6 Ų | 90.6 | 72% | 0.721 | 65% | 0.645 | S | S | * | * | trans | -64.5 | 114.8 | 166.5 | 172.5 | 0 | 0 | 0 | 0 | 106.8 | G320 S324 | G320-V322 PolarHBondContact O-N 3.44Å; V322-S324 PolarHBondContact O-N 2.91Å; V322-S324 PolarHBondContact O-OG 3.23Å; V322-S324 VanDerWaalsContact O-OG 3.1Å | ||
| 323 | D | 43.5 | Very low | 55 | Low | 155 Ų | 155 | 97.3 Ų | 97.3 | 83% | 0.829 | 65% | 0.648 | S | S | * | * | trans | -48.2 | 102.8 | 179.5 | -121.5 | -19.5 | 0 | 0 | 0 | 109.1 | P321 S325 | P321-D323 PolarHBondContact O-N 2.8Å; P321-D323 VanDerWaalsContact O-N 3.16Å; D323-S325 PolarHBondContact O-N 2.81Å | ||
| 324 | S | 51.3 | Low | 56.7 | Low | 95 Ų | 95 | 98.9 Ų | 98.9 | 66% | 0.664 | 63% | 0.625 | S | S | * | * | trans | -79 | 72.9 | -174.7 | -63.8 | 0 | 0 | 0 | 0 | 107 | V322 M326 | V322-S324 PolarHBondContact O-N 2.91Å; V322-S324 PolarHBondContact O-OG 3.23Å; V322-S324 VanDerWaalsContact O-OG 3.1Å; S324-M326 WeakPolarHBondContact O-CG 3.36Å; S324-M326 PolarHBondContact O-N 3.42Å; S324-M326 VanDerWaalsContact O-N 3.12Å | ||
| 325 | S | 63.6 | Low | 59 | Low | 84 Ų | 84 | 99.2 Ų | 99.2 | 59% | 0.587 | 61% | 0.609 | S | S | * | * | trans | -61 | 122.2 | 172.4 | -166.1 | 0 | 0 | 0 | 0 | 107.2 | D323 H338 | D323-S325 PolarHBondContact O-N 2.81Å; S325-H338 WeakPolarHBondContact O-CB 3.06Å; S325-H338 PolarHBondContact O-N 2.98Å; S325-H338 PolarHBondContact O-ND1 3.3Å | ||
| 326 | M | 76.4 | Confident | 61.2 | Low | 90 Ų | 90 | 93.7 Ų | 93.7 | 44% | 0.443 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.7 | 134.3 | -177.7 | -69.1 | 176.7 | 78.5 | 0 | 0 | 107.9 | S324 L335 N336 | S324-M326 WeakPolarHBondContact O-CG 3.36Å; S324-M326 PolarHBondContact O-N 3.42Å; S324-M326 VanDerWaalsContact O-N 3.12Å; M326-L335 HydrophobicContact CB-CB 4.45Å; M326-L335 HydrophobicContact CB-CD2 3.57Å; M326-L335 HydrophobicContact CB-CG 3.7Å; M326-L335 HydrophobicContact CE-CB 3.76Å; M326-L335 HydrophobicContact CE-CD2 3.95Å; M326-L335 HydrophobicContact CE-CG 4.18Å; M326-L335 HydrophobicContact CG-CD2 4.26Å; M326-L335 HydrophobicContact SD-CD2 3.76Å; M326-L335 HydrophobicContact SD-CG 4.49Å; M326-N336 CarbonylContact C-O 3.31Å; M326-N336 VanDerWaalsContact C-O 3.31Å; M326-N336 WeakPolarHBondContact CA-O 3.28Å; M326-N336 WeakPolarHBondContact CB-O 3.36Å |
| 327 | W | 73.8 | Confident | 62.9 | Low | 50 Ų | 50 | 98.1 Ų | 98.1 | 19% | 0.189 | 57% | 0.567 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.5 | 136.1 | 176.9 | 69.5 | -82.5 | 0 | 0 | 0 | 110.3 | C329 N336 R337 A340 C343 A350 | W327-C329 HydrophobicContact CZ3-CB 4.22Å; W327-N336 HydrophobicContact CD2-CB 4.11Å; W327-N336 HydrophobicContact CG-CB 4.24Å; W327-N336 HydrophobicContact CZ2-CB 3.94Å; W327-N336 PolarHBondContact N-O 3.43Å; W327-N336 VanDerWaalsContact NE1-CB 3.33Å; W327-N336 PolarHBondContact O-N 3.13Å; W327-R337 PolarHBondContact NE1-O 3.38Å; W327-R337 VanDerWaalsContact NE1-O 3.12Å; W327-A340 PolarHBondContact NE1-O 3.35Å; W327-C343 HydrophobicContact CH2-CB 4.2Å; W327-A350 HydrophobicContact CD2-CB 4.33Å; W327-A350 HydrophobicContact CE3-CB 4.36Å; W327-A350 HydrophobicContact CH2-CB 3.7Å; W327-A350 HydrophobicContact CZ2-CB 3.65Å; W327-A350 HydrophobicContact CZ3-CB 4.04Å |
| 328 | S | 79.8 | Confident | 64.3 | Low | 76 Ų | 76 | 98.3 Ų | 98.3 | 53% | 0.531 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.6 | 127.7 | 173.4 | 64.1 | 0 | 0 | 0 | 0 | 110.3 | S330 | S328-S330 PolarHBondContact O-N 3.38Å |
| 329 | C | 80.1 | Confident | 65.1 | Low | 1 Ų | 1 | 97.5 Ų | 97.5 | 1% | 0.007 | 54% | 0.543 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 127.2 | 174.5 | 179.3 | 0 | 0 | 0 | 0 | 111 | W327 S331 C332 R333 R334 C343 C346 | W327-C329 HydrophobicContact CZ3-CB 4.22Å; C329-S331 VanDerWaalsContact C-N 3.26Å; C329-S331 PolarHBondContact O-N 2.94Å; C329-S331 PolarHBondContact SG-N 2.81Å; C329-C332 VanDerWaalsContact SG-SG 3.61Å; C329-R333 WeakPolarHBondContact O-CA 3.46Å; C329-R333 PolarHBondContact O-N 3.15Å; C329-R334 WeakPolarHBondContact CB-O 3.33Å; C329-R334 PolarHBondContact N-O 3.12Å; C329-C343 HydrophobicContact CB-CB 4.01Å; C329-C346 PolarHBondContact SG-SG 3.06Å |
| 330 | S | 78.4 | Confident | 66.8 | Low | 98 Ų | 98 | 93.5 Ų | 93.5 | 69% | 0.685 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -32.3 | 178.4 | 50.1 | 0 | 0 | 0 | 0 | 113.3 | S328 | S328-S330 PolarHBondContact O-N 3.38Š|
| 331 | S | 72.7 | Confident | 69 | Low | 80 Ų | 80 | 98 Ų | 98 | 56% | 0.559 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -41.6 | -177.5 | -58.9 | 0 | 0 | 0 | 0 | 114.1 | C329 T348 | C329-S331 VanDerWaalsContact C-N 3.26Å; C329-S331 PolarHBondContact O-N 2.94Å; C329-S331 PolarHBondContact SG-N 2.81Å; S331-T348 VanDerWaalsContact CB-OG1 3.24Å; S331-T348 WeakPolarHBondContact CB-OG1 3.36Å; S331-T348 VanDerWaalsContact OG-CG2 3.27Å; S331-T348 WeakPolarHBondContact OG-CG2 3.23Å; S331-T348 PolarHBondContact OG-OG1 2.8Å |
| 332 | C | 80 | Confident | 70.6 | Confident | 44 Ų | 44 | 97.2 Ų | 97.2 | 30% | 0.297 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124 | 3.8 | -172.4 | 74.9 | 0 | 0 | 0 | 0 | 114.3 | C329 R334 C346 | C329-C332 VanDerWaalsContact SG-SG 3.61Å; C332-R334 PolarHBondContact O-N 3.14Å; C332-R334 VanDerWaalsContact SG-CB 3.55Å; C332-C346 HydrophobicContact CB-CB 4.2Å; C332-C346 PolarHBondContact SG-SG 2.89Å |
| 333 | R | 79.3 | Confident | 72.4 | Confident | 215 Ų | 215 | 91.7 Ų | 91.7 | 81% | 0.811 | 47% | 0.465 | S | S | * | . | trans | 57.2 | 6.8 | 178.9 | -58.6 | -173.4 | -176.1 | 171.5 | 1 | 116 | C329 L335 | C329-R333 WeakPolarHBondContact O-CA 3.46Å; C329-R333 PolarHBondContact O-N 3.15Å; R333-L335 PolarHBondContact O-N 3.46Å | ||
| 334 | R | 77.5 | Confident | 74 | Confident | 125 Ų | 125 | 89.7 Ų | 89.7 | 47% | 0.472 | 45% | 0.454 | S | S | . | . | trans | -60.8 | 132.6 | 173.5 | -173.5 | 66 | 174.8 | 134.3 | 1.9 | 109.7 | C329 C332 N336 | C329-R334 WeakPolarHBondContact CB-O 3.33Å; C329-R334 PolarHBondContact N-O 3.12Å; C332-R334 PolarHBondContact O-N 3.14Å; C332-R334 VanDerWaalsContact SG-CB 3.55Å; R334-N336 PolarHBondContact O-ND2 3.39Å | ||
| 335 | L | 80.7 | Confident | 75.4 | Confident | 82 Ų | 82 | 94.4 Ų | 94.4 | 43% | 0.429 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 124.4 | 174.7 | -127.4 | 77.4 | 0 | 0 | 0 | 109.3 | M326 R333 | M326-L335 HydrophobicContact CB-CB 4.45Å; M326-L335 HydrophobicContact CB-CD2 3.57Å; M326-L335 HydrophobicContact CB-CG 3.7Å; M326-L335 HydrophobicContact CE-CB 3.76Å; M326-L335 HydrophobicContact CE-CD2 3.95Å; M326-L335 HydrophobicContact CE-CG 4.18Å; M326-L335 HydrophobicContact CG-CD2 4.26Å; M326-L335 HydrophobicContact SD-CD2 3.76Å; M326-L335 HydrophobicContact SD-CG 4.49Å; R333-L335 PolarHBondContact O-N 3.46Å |
| 336 | N | 76.8 | Confident | 76 | Confident | 6 Ų | 6 | 93 Ų | 93 | 3% | 0.032 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 155.5 | -179.2 | -65.9 | -88.4 | 0 | 0 | 0 | 109.1 | M326 W327 R334 A340 C343 D344 | M326-N336 CarbonylContact C-O 3.31Å; M326-N336 VanDerWaalsContact C-O 3.31Å; M326-N336 WeakPolarHBondContact CA-O 3.28Å; M326-N336 WeakPolarHBondContact CB-O 3.36Å; W327-N336 HydrophobicContact CD2-CB 4.11Å; W327-N336 HydrophobicContact CG-CB 4.24Å; W327-N336 HydrophobicContact CZ2-CB 3.94Å; W327-N336 PolarHBondContact N-O 3.43Å; W327-N336 VanDerWaalsContact NE1-CB 3.33Å; W327-N336 PolarHBondContact O-N 3.13Å; R334-N336 PolarHBondContact O-ND2 3.39Å; N336-A340 HydrophobicContact CB-CB 4.24Å; N336-C343 WeakPolarHBondContact OD1-CA 3.3Å; N336-D344 PolarHBondContact OD1-N 2.84Å; N336-D344 VanDerWaalsContact OD1-N 3.15Å; N336-D344 PolarHBondContact OD1-OD1 2.92Å |
| 337 | R | 72.9 | Confident | 75.7 | Confident | 186 Ų | 186 | 91 Ų | 91 | 70% | 0.702 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 143.3 | 171.5 | -65.9 | -175.1 | 173.9 | -173 | -2.9 | 110.3 | W327 D339 A340 | W327-R337 PolarHBondContact NE1-O 3.38Å; W327-R337 VanDerWaalsContact NE1-O 3.12Å; R337-D339 WeakPolarHBondContact CB-OD1 3.1Å; R337-D339 PolarHBondContact O-N 2.07Å; R337-D339 VanDerWaalsContact O-N 3.09Å; R337-A340 VanDerWaalsContact O-CB 3.23Å; R337-A340 WeakPolarHBondContact O-CB 3.08Å; R337-A340 PolarHBondContact O-N 2.88Å |
| 338 | H | 67.4 | Low | 75.5 | Confident | 125 Ų | 125 | 90.4 Ų | 90.4 | 58% | 0.579 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -28.7 | -178.3 | 63.9 | -77.8 | 0 | 0 | 0 | 114.6 | S325 A340 | S325-H338 WeakPolarHBondContact O-CB 3.06Å; S325-H338 PolarHBondContact O-N 2.98Å; S325-H338 PolarHBondContact O-ND1 3.3Å; H338-A340 VanDerWaalsContact C-N 3.33Å |
| 339 | D | 60.6 | Low | 75 | Confident | 108 Ų | 108 | 92.3 Ų | 92.3 | 58% | 0.578 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -10.4 | 178.9 | 66.9 | -31.3 | 0 | 0 | 0 | 113.6 | R337 R341 | R337-D339 WeakPolarHBondContact CB-OD1 3.1Å; R337-D339 PolarHBondContact O-N 2.07Å; R337-D339 VanDerWaalsContact O-N 3.09Å; D339-R341 PolarHBondContact O-N 3.46Å |
| 340 | A | 69.4 | Low | 74.5 | Confident | 30 Ų | 30 | 93.3 Ų | 93.3 | 25% | 0.248 | 46% | 0.458 | C | S | . | . | trans | -73.1 | 119.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | W327 N336 R337 H338 | W327-A340 PolarHBondContact NE1-O 3.35Å; N336-A340 HydrophobicContact CB-CB 4.24Å; R337-A340 VanDerWaalsContact O-CB 3.23Å; R337-A340 WeakPolarHBondContact O-CB 3.08Å; R337-A340 PolarHBondContact O-N 2.88Å; H338-A340 VanDerWaalsContact C-N 3.33Å | ||
| 341 | R | 77.6 | Confident | 73.5 | Confident | 152 Ų | 152 | 92.1 Ų | 92.1 | 57% | 0.574 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -78.8 | -18.4 | -179.4 | -52.8 | -173.3 | 98.2 | 173.6 | 9.2 | 114 | D339 A350 | D339-R341 PolarHBondContact O-N 3.46Å; R341-A350 PolarHBondContact O-N 3.05Å |
| 342 | F | 78.7 | Confident | 72.4 | Confident | 121 Ų | 121 | 94.6 Ų | 94.6 | 53% | 0.531 | 46% | 0.464 | S | S | . | . | B | Isolated β-bridge | trans | -138.1 | 150.8 | 178.7 | -54.8 | -84.2 | 0 | 0 | 0 | 108.7 | D344 K349 | F342-D344 PolarHBondContact O-N 3.42Å; F342-K349 HydrophobicContact CD1-CB 3.98Å; F342-K349 HydrophobicContact CD1-CG 4.13Å; F342-K349 HydrophobicContact CE1-CB 4.05Å; F342-K349 HydrophobicContact CE1-CD 4.38Å; F342-K349 HydrophobicContact CE1-CG 3.88Å |
| 343 | C | 80.9 | Confident | 70.8 | Confident | 3 Ų | 3 | 96.2 Ų | 96.2 | 2% | 0.02 | 48% | 0.481 | C | S | . | . | trans | -66.7 | 127.3 | 170.5 | 175.8 | 0 | 0 | 0 | 0 | 110.1 | W327 C329 N336 R345 C346 G347 T348 | W327-C343 HydrophobicContact CH2-CB 4.2Å; C329-C343 HydrophobicContact CB-CB 4.01Å; N336-C343 WeakPolarHBondContact OD1-CA 3.3Å; C343-R345 PolarHBondContact O-N 3.48Å; C343-C346 VanDerWaalsContact SG-SG 3.62Å; C343-G347 VanDerWaalsContact O-CA 3.28Å; C343-G347 WeakPolarHBondContact O-CA 3.43Å; C343-G347 PolarHBondContact O-N 2.76Å; C343-T348 PolarHBondContact N-O 3.5Å | ||
| 344 | D | 75.9 | Confident | 69.1 | Low | 113 Ų | 113 | 91.7 Ų | 91.7 | 60% | 0.604 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -33.8 | 178.4 | 64.5 | -17 | 0 | 0 | 0 | 113.9 | N336 F342 | N336-D344 PolarHBondContact OD1-N 2.84Å; N336-D344 VanDerWaalsContact OD1-N 3.15Å; N336-D344 PolarHBondContact OD1-OD1 2.92Å; F342-D344 PolarHBondContact O-N 3.42Å |
| 345 | R | 80.8 | Confident | 68 | Low | 194 Ų | 194 | 89.5 Ų | 89.5 | 73% | 0.732 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -44.2 | -174.8 | -177.1 | 173.8 | 173.1 | -167.1 | -1.5 | 113.9 | C343 | C343-R345 PolarHBondContact O-N 3.48Š|
| 346 | C | 76.7 | Confident | 66.9 | Low | 55 Ų | 55 | 94 Ų | 94 | 37% | 0.372 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | -5.1 | -171.3 | 74.1 | 0 | 0 | 0 | 0 | 114.2 | C329 C332 C343 T348 | C329-C346 PolarHBondContact SG-SG 3.06Å; C332-C346 HydrophobicContact CB-CB 4.2Å; C332-C346 PolarHBondContact SG-SG 2.89Å; C343-C346 VanDerWaalsContact SG-SG 3.62Å; C346-T348 PolarHBondContact O-N 3.4Å; C346-T348 VanDerWaalsContact O-N 3.15Å; C346-T348 PolarHBondContact SG-OG1 3.25Å |
| 347 | G | 69.4 | Low | 66.4 | Low | 47 Ų | 47 | 95.6 Ų | 95.6 | 49% | 0.485 | 50% | 0.503 | S | S | . | . | trans | 71.1 | 2.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | C343 K349 | C343-G347 VanDerWaalsContact O-CA 3.28Å; C343-G347 WeakPolarHBondContact O-CA 3.43Å; C343-G347 PolarHBondContact O-N 2.76Å; G347-K349 PolarHBondContact O-N 3.04Å | ||
| 348 | T | 70.3 | Confident | 65.8 | Low | 38 Ų | 38 | 89.6 Ų | 89.6 | 23% | 0.233 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 126.5 | 176.2 | -63.2 | 0 | 0 | 0 | 0 | 109.3 | S331 C343 C346 | S331-T348 VanDerWaalsContact CB-OG1 3.24Å; S331-T348 WeakPolarHBondContact CB-OG1 3.36Å; S331-T348 VanDerWaalsContact OG-CG2 3.27Å; S331-T348 WeakPolarHBondContact OG-CG2 3.23Å; S331-T348 PolarHBondContact OG-OG1 2.8Å; C343-T348 PolarHBondContact N-O 3.5Å; C346-T348 PolarHBondContact O-N 3.4Å; C346-T348 VanDerWaalsContact O-N 3.15Å; C346-T348 PolarHBondContact SG-OG1 3.25Å |
| 349 | K | 70.1 | Confident | 65.7 | Low | 115 Ų | 115 | 83.9 Ų | 83.9 | 50% | 0.5 | 46% | 0.461 | S | S | . | . | B | Isolated β-bridge | trans | -63.1 | 136.8 | 178.5 | -168.7 | -179.8 | 177.6 | -169.1 | 0 | 110.2 | F342 G347 G351 H352 | F342-K349 HydrophobicContact CD1-CB 3.98Å; F342-K349 HydrophobicContact CD1-CG 4.13Å; F342-K349 HydrophobicContact CE1-CB 4.05Å; F342-K349 HydrophobicContact CE1-CD 4.38Å; F342-K349 HydrophobicContact CE1-CG 3.88Å; G347-K349 PolarHBondContact O-N 3.04Å; K349-G351 PolarHBondContact O-N 2.94Å; K349-H352 WeakPolarHBondContact CE-NE2 3.14Å; K349-H352 PolarHBondContact NZ-NE2 3.09Å; K349-H352 VanDerWaalsContact NZ-NE2 3.13Å |
| 350 | A | 68 | Low | 66.1 | Low | 22 Ų | 22 | 87.1 Ų | 87.1 | 18% | 0.182 | 47% | 0.466 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 130 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | W327 R341 H352 | W327-A350 HydrophobicContact CD2-CB 4.33Å; W327-A350 HydrophobicContact CE3-CB 4.36Å; W327-A350 HydrophobicContact CH2-CB 3.7Å; W327-A350 HydrophobicContact CZ2-CB 3.65Å; W327-A350 HydrophobicContact CZ3-CB 4.04Å; R341-A350 PolarHBondContact O-N 3.05Å; A350-H352 PolarHBondContact O-N 3.2Å |
| 351 | G | 57.2 | Low | 65.3 | Low | 73 Ų | 73 | 93.3 Ų | 93.3 | 75% | 0.753 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 118.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | K349 A353 | K349-G351 PolarHBondContact O-N 2.94Å; G351-A353 PolarHBondContact O-N 3.12Å |
| 352 | H | 49.8 | Very low | 64.7 | Low | 132 Ų | 132 | 88.8 Ų | 88.8 | 61% | 0.611 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 126.5 | -176.9 | -76.9 | -94.5 | 0 | 0 | 0 | 110.2 | K349 A350 | K349-H352 WeakPolarHBondContact CE-NE2 3.14Å; K349-H352 PolarHBondContact NZ-NE2 3.09Å; K349-H352 VanDerWaalsContact NZ-NE2 3.13Å; A350-H352 PolarHBondContact O-N 3.2Å |
| 353 | A | 47.1 | Very low | 63.8 | Low | 78 Ų | 78 | 85.4 Ų | 85.4 | 65% | 0.645 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 136.6 | 155.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | G351 C355 | G351-A353 PolarHBondContact O-N 3.12Å; A353-C355 PolarHBondContact O-N 2.81Å; A353-C355 VanDerWaalsContact O-N 3.17Å |
| 354 | P | 44.2 | Very low | 63 | Low | 120 Ų | 120 | 90.2 Ų | 90.2 | 78% | 0.779 | 50% | 0.495 | S | S | * | . | trans | -71 | 114.2 | -175.8 | 27 | -31.6 | 0 | 0 | 0 | 109.7 | ||||
| 355 | C | 52.8 | Low | 62.6 | Low | 80 Ų | 80 | 88 Ų | 88 | 54% | 0.541 | 49% | 0.489 | S | S | . | . | trans | -86.9 | 136.3 | 168.2 | -57.2 | 0 | 0 | 0 | 0 | 108.7 | A353 L368 | A353-C355 PolarHBondContact O-N 2.81Å; A353-C355 VanDerWaalsContact O-N 3.17Å; C355-L368 HydrophobicContact CB-CB 4.45Å; C355-L368 HydrophobicContact CB-CD1 3.14Å; C355-L368 HydrophobicContact CB-CG 4.35Å; C355-L368 WeakPolarHBondContact O-CB 3.41Å; C355-L368 PolarHBondContact O-N 2.92Å | ||
| 356 | W | 57.9 | Low | 61.7 | Low | 177 Ų | 177 | 79 Ų | 79 | 67% | 0.67 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108 | 151.1 | 179 | 35.6 | 17.5 | 0 | 0 | 0 | 112.1 | A366 | W356-A366 CarbonylContact C-O 3.52Å; W356-A366 VanDerWaalsContact CA-O 3.27Å; W356-A366 WeakPolarHBondContact CA-O 3.09Å |
| 357 | V | 66.1 | Low | 61 | Low | 38 Ų | 38 | 79.8 Ų | 79.8 | 23% | 0.23 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 141.4 | 174.6 | 55.1 | 0 | 0 | 0 | 0 | 109.2 | A366 L368 L380 | V357-A366 HydrophobicContact CG1-CB 4.36Å; V357-A366 WeakPolarHBondContact CG1-O 3.2Å; V357-A366 PolarHBondContact N-O 2.78Å; V357-A366 PolarHBondContact O-N 2.89Å; V357-A366 VanDerWaalsContact O-O 3.14Å; V357-L368 HydrophobicContact CB-CG 4.26Å; V357-L368 HydrophobicContact CG1-CG 4.47Å; V357-L380 HydrophobicContact CG1-CD1 4.14Å |
| 358 | T | 61.1 | Low | 60.5 | Low | 61 Ų | 61 | 80.5 Ų | 80.5 | 37% | 0.374 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 131.1 | 177.7 | -25.6 | 0 | 0 | 0 | 0 | 110.4 | W360 G363 | T358-W360 PolarHBondContact O-N 3.26Å; T358-G363 WeakPolarHBondContact CG2-O 3.05Å |
| 359 | C | 65.9 | Low | 59.9 | Low | 4 Ų | 4 | 85.4 Ų | 85.4 | 3% | 0.027 | 48% | 0.477 | C | S | . | . | trans | -68.2 | 121.6 | -179.4 | 175.4 | 0 | 0 | 0 | 0 | 111.5 | R361 C362 G363 E364 C373 C376 V378 L380 | C359-R361 PolarHBondContact O-N 3.11Å; C359-R361 VanDerWaalsContact O-N 3.14Å; C359-R361 PolarHBondContact SG-N 2.86Å; C359-R361 VanDerWaalsContact SG-N 3.42Å; C359-C362 PolarHBondContact O-N 3.21Å; C359-G363 VanDerWaalsContact O-CA 3.3Å; C359-G363 WeakPolarHBondContact O-CA 3.1Å; C359-G363 PolarHBondContact O-N 2.58Å; C359-E364 VanDerWaalsContact CB-O 3.23Å; C359-E364 WeakPolarHBondContact CB-O 3.14Å; C359-E364 PolarHBondContact N-O 3.12Å; C359-C373 HydrophobicContact CB-CB 4.04Å; C359-C373 VanDerWaalsContact SG-SG 3.67Å; C359-C376 PolarHBondContact SG-SG 2.82Å; C359-V378 WeakPolarHBondContact SG-CG1 3.31Å; C359-L380 HydrophobicContact CB-CD2 4.05Å | ||
| 360 | W | 68.1 | Low | 59.5 | Low | 176 Ų | 176 | 81 Ų | 81 | 67% | 0.667 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -28.8 | 179 | 69.5 | -94.5 | 0 | 0 | 0 | 114.1 | T358 V378 | T358-W360 PolarHBondContact O-N 3.26Å; W360-V378 HydrophobicContact CH2-CG2 4.29Å; W360-V378 HydrophobicContact CZ2-CG2 3.3Å |
| 361 | R | 52.2 | Low | 59.3 | Low | 160 Ų | 160 | 83.1 Ų | 83.1 | 60% | 0.604 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -41.2 | -177 | 179.9 | 176.7 | -79.7 | -121.9 | -1.4 | 113.7 | C359 V378 | C359-R361 PolarHBondContact O-N 3.11Å; C359-R361 VanDerWaalsContact O-N 3.14Å; C359-R361 PolarHBondContact SG-N 2.86Å; C359-R361 VanDerWaalsContact SG-N 3.42Å; R361-V378 HydrophobicContact CB-CB 4.22Å; R361-V378 HydrophobicContact CB-CG1 3.93Å; R361-V378 HydrophobicContact CB-CG2 4.37Å |
| 362 | C | 65.6 | Low | 60.1 | Low | 57 Ų | 57 | 84.6 Ų | 84.6 | 39% | 0.385 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.7 | -3 | -171.3 | 70.2 | 0 | 0 | 0 | 0 | 114.5 | C359 E364 C376 | C359-C362 PolarHBondContact O-N 3.21Å; C362-E364 PolarHBondContact O-N 3.19Å; C362-E364 VanDerWaalsContact SG-CB 3.59Å; C362-C376 HydrophobicContact CB-CB 3.94Å; C362-C376 PolarHBondContact SG-SG 3.26Å |
| 363 | G | 60.3 | Low | 61.1 | Low | 50 Ų | 50 | 78.4 Ų | 78.4 | 52% | 0.515 | 43% | 0.433 | S | S | . | . | trans | 75.3 | -3.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | T358 C359 | T358-G363 WeakPolarHBondContact CG2-O 3.05Å; C359-G363 VanDerWaalsContact O-CA 3.3Å; C359-G363 WeakPolarHBondContact O-CA 3.1Å; C359-G363 PolarHBondContact O-N 2.58Å | ||
| 364 | E | 64.1 | Low | 62.2 | Low | 105 Ų | 105 | 79.9 Ų | 79.9 | 49% | 0.491 | 45% | 0.445 | S | S | . | . | trans | -74.5 | 143.8 | -177.3 | -160.5 | 58.6 | -125.9 | 0 | 0 | 111.9 | C359 C362 A375 | C359-E364 VanDerWaalsContact CB-O 3.23Å; C359-E364 WeakPolarHBondContact CB-O 3.14Å; C359-E364 PolarHBondContact N-O 3.12Å; C362-E364 PolarHBondContact O-N 3.19Å; C362-E364 VanDerWaalsContact SG-CB 3.59Å; E364-A375 HydrophobicContact CB-CB 4.07Å; E364-A375 HydrophobicContact CG-CB 4.07Å | ||
| 365 | S | 66.7 | Low | 63.4 | Low | 67 Ų | 67 | 77.5 Ų | 77.5 | 47% | 0.469 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 141.5 | 177.1 | 66.7 | 0 | 0 | 0 | 0 | 111.7 | ||
| 366 | A | 61.4 | Low | 63.8 | Low | 5 Ų | 5 | 76 Ų | 76 | 4% | 0.041 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 148.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | W356 V357 L380 | W356-A366 CarbonylContact C-O 3.52Å; W356-A366 VanDerWaalsContact CA-O 3.27Å; W356-A366 WeakPolarHBondContact CA-O 3.09Å; V357-A366 HydrophobicContact CG1-CB 4.36Å; V357-A366 WeakPolarHBondContact CG1-O 3.2Å; V357-A366 PolarHBondContact N-O 2.78Å; V357-A366 PolarHBondContact O-N 2.89Å; V357-A366 VanDerWaalsContact O-O 3.14Å; A366-L380 HydrophobicContact CB-CD1 3.29Å |
| 367 | P | 62.9 | Low | 64 | Low | 70 Ų | 70 | 69.9 Ų | 69.9 | 46% | 0.455 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 145.2 | 172.9 | -24 | 34.4 | 0 | 0 | 0 | 112.3 | D369 A370 | P367-D369 WeakPolarHBondContact CB-OD1 3Å; P367-D369 PolarHBondContact O-N 2.61Å; P367-A370 HydrophobicContact CB-CB 4.19Å; P367-A370 HydrophobicContact CG-CB 4.42Å; P367-A370 VanDerWaalsContact O-CB 3.25Å; P367-A370 WeakPolarHBondContact O-CB 3.44Å; P367-A370 PolarHBondContact O-N 3.12Å |
| 368 | L | 58.8 | Low | 63.7 | Low | 62 Ų | 62 | 69 Ų | 69 | 33% | 0.325 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -21.3 | -179.8 | -104.5 | 146.2 | 0 | 0 | 0 | 114 | C355 V357 | C355-L368 HydrophobicContact CB-CB 4.45Å; C355-L368 HydrophobicContact CB-CD1 3.14Å; C355-L368 HydrophobicContact CB-CG 4.35Å; C355-L368 WeakPolarHBondContact O-CB 3.41Å; C355-L368 PolarHBondContact O-N 2.92Å; V357-L368 HydrophobicContact CB-CG 4.26Å; V357-L368 HydrophobicContact CG1-CG 4.47Å |
| 369 | D | 58.7 | Low | 63.8 | Low | 141 Ų | 141 | 71.4 Ų | 71.4 | 75% | 0.754 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -4.4 | 174.6 | 63.9 | -32.1 | 0 | 0 | 0 | 113.3 | P367 P371 | P367-D369 WeakPolarHBondContact CB-OD1 3Å; P367-D369 PolarHBondContact O-N 2.61Å; D369-P371 VanDerWaalsContact O-CD 3.31Å; D369-P371 WeakPolarHBondContact O-CD 3.2Å |
| 370 | A | 61.4 | Low | 63.7 | Low | 22 Ų | 22 | 71.6 Ų | 71.6 | 18% | 0.182 | 42% | 0.418 | C | S | . | . | trans | -76.5 | 118 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | P367 H372 | P367-A370 HydrophobicContact CB-CB 4.19Å; P367-A370 HydrophobicContact CG-CB 4.42Å; P367-A370 VanDerWaalsContact O-CB 3.25Å; P367-A370 WeakPolarHBondContact O-CB 3.44Å; P367-A370 PolarHBondContact O-N 3.12Å; A370-H372 PolarHBondContact O-N 2.89Å | ||
| 371 | P | 62.5 | Low | 63 | Low | 68 Ų | 68 | 69.8 Ų | 69.8 | 44% | 0.442 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -70.3 | -19.9 | -179.8 | 26.8 | -33.4 | 0 | 0 | 0 | 112.9 | D369 F379 L380 | D369-P371 VanDerWaalsContact O-CD 3.31Å; D369-P371 WeakPolarHBondContact O-CD 3.2Å; P371-F379 HydrophobicContact CB-CE2 4.11Å; P371-F379 WeakPolarHBondContact O-CA 3.41Å; P371-F379 WeakPolarHBondContact O-CD2 3.07Å; P371-F379 WeakPolarHBondContact O-CE2 3.35Å; P371-L380 PolarHBondContact O-N 3.16Å |
| 372 | H | 74.9 | Confident | 62.5 | Low | 103 Ų | 103 | 65.6 Ų | 65.6 | 48% | 0.477 | 42% | 0.42 | S | S | . | . | B | Isolated β-bridge | trans | -138.3 | 146.6 | -178.4 | -50 | 92.5 | 0 | 0 | 0 | 110.9 | A370 A374 V378 F379 | A370-H372 PolarHBondContact O-N 2.89Å; H372-A374 PolarHBondContact O-N 3.29Å; H372-V378 CarbonylContact C-O 3.52Å; H372-V378 VanDerWaalsContact CA-O 3.3Å; H372-V378 WeakPolarHBondContact CA-O 3.24Å; H372-F379 AromaticContact CD2-CD2 3.87Å; H372-F379 AromaticContact NE2-CD2 3.68Å |
| 373 | C | 70.5 | Confident | 60.9 | Low | 3 Ų | 3 | 69.4 Ų | 69.4 | 2% | 0.02 | 44% | 0.436 | C | S | . | . | trans | -67.3 | 127.7 | 169.8 | 177 | 0 | 0 | 0 | 0 | 110.2 | C359 A375 G377 V378 L380 | C359-C373 HydrophobicContact CB-CB 4.04Å; C359-C373 VanDerWaalsContact SG-SG 3.67Å; C373-A375 VanDerWaalsContact C-N 3.27Å; C373-A375 PolarHBondContact O-N 3.36Å; C373-A375 PolarHBondContact SG-N 3.44Å; C373-G377 WeakPolarHBondContact O-CA 3.43Å; C373-G377 PolarHBondContact O-N 3.34Å; C373-V378 HydrophobicContact CB-CG1 4.04Å; C373-V378 PolarHBondContact N-O 3.03Å; C373-L380 HydrophobicContact CB-CD1 4.22Å; C373-L380 HydrophobicContact CB-CD2 4.26Å; C373-L380 HydrophobicContact CB-CG 4.3Å | ||
| 374 | A | 69.1 | Low | 59.4 | Low | 108 Ų | 108 | 71.1 Ų | 71.1 | 89% | 0.893 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -26.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | H372 | H372-A374 PolarHBondContact O-N 3.29Š|
| 375 | A | 70.2 | Confident | 57.8 | Low | 70 Ų | 70 | 70.3 Ų | 70.3 | 58% | 0.579 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -40.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | E364 C373 | E364-A375 HydrophobicContact CB-CB 4.07Å; E364-A375 HydrophobicContact CG-CB 4.07Å; C373-A375 VanDerWaalsContact C-N 3.27Å; C373-A375 PolarHBondContact O-N 3.36Å; C373-A375 PolarHBondContact SG-N 3.44Å |
| 376 | C | 61.5 | Low | 56.2 | Low | 48 Ų | 48 | 70.9 Ų | 70.9 | 32% | 0.324 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.4 | -0.3 | -174 | 72.9 | 0 | 0 | 0 | 0 | 115 | C359 C362 V378 | C359-C376 PolarHBondContact SG-SG 2.82Å; C362-C376 HydrophobicContact CB-CB 3.94Å; C362-C376 PolarHBondContact SG-SG 3.26Å; C376-V378 PolarHBondContact O-N 2.82Å; C376-V378 VanDerWaalsContact O-N 3.16Å |
| 377 | G | 61.1 | Low | 54.8 | Low | 49 Ų | 49 | 76.5 Ų | 76.5 | 51% | 0.505 | 49% | 0.485 | S | S | . | . | trans | 71.3 | 4.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | C373 | C373-G377 WeakPolarHBondContact O-CA 3.43Å; C373-G377 PolarHBondContact O-N 3.34Å | ||
| 378 | V | 59.7 | Low | 53.5 | Low | 20 Ų | 20 | 79 Ų | 79 | 12% | 0.121 | 50% | 0.501 | C | S | . | . | trans | -72 | 141.5 | -178.4 | 83.2 | 0 | 0 | 0 | 0 | 111 | C359 W360 R361 H372 C373 C376 L380 | C359-V378 WeakPolarHBondContact SG-CG1 3.31Å; W360-V378 HydrophobicContact CH2-CG2 4.29Å; W360-V378 HydrophobicContact CZ2-CG2 3.3Å; R361-V378 HydrophobicContact CB-CB 4.22Å; R361-V378 HydrophobicContact CB-CG1 3.93Å; R361-V378 HydrophobicContact CB-CG2 4.37Å; H372-V378 CarbonylContact C-O 3.52Å; H372-V378 VanDerWaalsContact CA-O 3.3Å; H372-V378 WeakPolarHBondContact CA-O 3.24Å; C373-V378 HydrophobicContact CB-CG1 4.04Å; C373-V378 PolarHBondContact N-O 3.03Å; C376-V378 PolarHBondContact O-N 2.82Å; C376-V378 VanDerWaalsContact O-N 3.16Å; V378-L380 HydrophobicContact CG1-CD2 4.25Å; V378-L380 PolarHBondContact O-N 3.23Å | ||
| 379 | F | 64.5 | Low | 52.2 | Low | 111 Ų | 111 | 80.9 Ų | 80.9 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | B | Isolated β-bridge | trans | -65.2 | 125.9 | 174.6 | -168.9 | -101.2 | 0 | 0 | 0 | 109.8 | P371 H372 L381 | P371-F379 HydrophobicContact CB-CE2 4.11Å; P371-F379 WeakPolarHBondContact O-CA 3.41Å; P371-F379 WeakPolarHBondContact O-CD2 3.07Å; P371-F379 WeakPolarHBondContact O-CE2 3.35Å; H372-F379 AromaticContact CD2-CD2 3.87Å; H372-F379 AromaticContact NE2-CD2 3.68Å; F379-L381 HydrophobicContact CD1-CD1 4.36Å; F379-L381 HydrophobicContact CE1-CD1 4.23Å |
| 380 | L | 63.5 | Low | 51 | Low | 9 Ų | 9 | 81.3 Ų | 81.3 | 5% | 0.047 | 52% | 0.521 | C | S | . | . | trans | -93 | 113.5 | 174.7 | -61.1 | 173.5 | 0 | 0 | 0 | 106 | V357 C359 A366 P371 C373 V378 A382 | V357-L380 HydrophobicContact CG1-CD1 4.14Å; C359-L380 HydrophobicContact CB-CD2 4.05Å; A366-L380 HydrophobicContact CB-CD1 3.29Å; P371-L380 PolarHBondContact O-N 3.16Å; C373-L380 HydrophobicContact CB-CD1 4.22Å; C373-L380 HydrophobicContact CB-CD2 4.26Å; C373-L380 HydrophobicContact CB-CG 4.3Å; V378-L380 HydrophobicContact CG1-CD2 4.25Å; V378-L380 PolarHBondContact O-N 3.23Å; L380-A382 PolarHBondContact O-N 3.1Å | ||
| 381 | L | 52.6 | Low | 49.5 | Very low | 137 Ų | 137 | 87.9 Ų | 87.9 | 72% | 0.717 | 55% | 0.553 | S | S | * | * | trans | -65.2 | 98.4 | -175.1 | -156.8 | 84.4 | 0 | 0 | 0 | 108.9 | F379 L383 | F379-L381 HydrophobicContact CD1-CD1 4.36Å; F379-L381 HydrophobicContact CE1-CD1 4.23Å; L381-L383 VanDerWaalsContact C-N 3.29Å; L381-L383 HydrophobicContact CD2-CG 4.46Å; L381-L383 PolarHBondContact O-N 3.44Å | ||
| 382 | A | 43.3 | Very low | 48.1 | Very low | 72 Ų | 72 | 92.3 Ų | 92.3 | 60% | 0.595 | 57% | 0.572 | S | S | * | * | trans | -72 | 85 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | L380 | L380-A382 PolarHBondContact O-N 3.1Š| ||
| 383 | L | 31.3 | Very low | 46.2 | Very low | 137 Ų | 137 | 93.5 Ų | 93.5 | 72% | 0.717 | 59% | 0.586 | S | S | * | * | trans | -70.2 | 138.2 | 155.7 | -70.1 | 171.1 | 0 | 0 | 0 | 107.6 | L381 | L381-L383 VanDerWaalsContact C-N 3.29Å; L381-L383 HydrophobicContact CD2-CG 4.46Å; L381-L383 PolarHBondContact O-N 3.44Å | ||
| 384 | A | 29.6 | Very low | 44.5 | Very low | 86 Ų | 86 | 98.7 Ų | 98.7 | 71% | 0.711 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -41.5 | 151.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 385 | P | 29.7 | Very low | 42.7 | Very low | 89 Ų | 89 | 99.4 Ų | 99.4 | 58% | 0.578 | 62% | 0.615 | S | S | * | * | trans | -52.9 | 129.4 | -162.8 | 20.2 | -32.9 | 0 | 0 | 0 | 111.6 | T387 | P385-T387 PolarHBondContact O-N 3.39Š| ||
| 386 | P | 32.4 | Very low | 40.9 | Very low | 79 Ų | 79 | 105.2 Ų | 105.2 | 51% | 0.513 | 63% | 0.631 | S | S | . | * | trans | -60.1 | 135.8 | 168.1 | 25.7 | -31.1 | 0 | 0 | 0 | 108.2 | ||||
| 387 | T | 32.8 | Very low | 40 | Very low | 122 Ų | 122 | 111.9 Ų | 111.9 | 75% | 0.748 | 66% | 0.657 | S | S | * | * | trans | -43 | 136.9 | 157.6 | 43 | 0 | 0 | 0 | 0 | 109.8 | P385 C389 | P385-T387 PolarHBondContact O-N 3.39Å; T387-C389 PolarHBondContact O-N 2.98Å | ||
| 388 | P | 34.5 | Very low | 38.5 | Very low | 122 Ų | 122 | 117.1 Ų | 117.1 | 79% | 0.792 | 67% | 0.674 | S | S | * | * | trans | -59.9 | 127.3 | 175.9 | 25 | -31.6 | 0 | 0 | 0 | 109.3 | N390 | P388-N390 PolarHBondContact O-N 3.42Š| ||
| 389 | C | 32 | Very low | 37.5 | Very low | 103 Ų | 103 | 121.8 Ų | 121.8 | 70% | 0.696 | 70% | 0.702 | S | S | * | * | trans | -63.6 | 118.3 | 172.1 | -62.9 | 0 | 0 | 0 | 0 | 108.9 | T387 | T387-C389 PolarHBondContact O-N 2.98Š| ||
| 390 | N | 34.3 | Very low | 36.2 | Very low | 150 Ų | 150 | 120 Ų | 120 | 80% | 0.802 | 71% | 0.708 | S | S | * | * | trans | -120.7 | 146 | 147.4 | -80.9 | -20.3 | 0 | 0 | 0 | 107.3 | P388 | P388-N390 PolarHBondContact O-N 3.42Š| ||
| 391 | D | 28.4 | Very low | 34.8 | Very low | 159 Ų | 159 | 128.4 Ų | 128.4 | 85% | 0.85 | 75% | 0.747 | S | S | * | * | trans | 86.5 | 86.4 | 176.4 | -54.4 | -32.2 | 0 | 0 | 0 | 117.4 | ||||
| 392 | I | 33.4 | Very low | 34.2 | Very low | 162 Ų | 162 | 127.4 Ų | 127.4 | 83% | 0.831 | 75% | 0.751 | S | S | * | * | trans | -116.2 | 105.4 | 144.5 | -60.6 | 173.3 | 0 | 0 | 0 | 106.5 | ||||
| 393 | T | 34.8 | Very low | 33.7 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -73 | 136.7 | 151.8 | 2.7 | 0 | 0 | 0 | 0 | 108 | ||
| 394 | P | 34.9 | Very low | 34 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 139.7 | 179.2 | 29 | -31.8 | 0 | 0 | 0 | 110.6 | ||
| 395 | P | 32 | Very low | 34 | Very low | 123 Ų | 123 | 137 Ų | 137 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 130.7 | 164.9 | 31 | -27.1 | 0 | 0 | 0 | 108.8 | ||
| 396 | E | 32.5 | Very low | 34.3 | Very low | 192 Ų | 192 | 143.8 Ų | 143.8 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 149.1 | 166 | -73.1 | -158 | 119.1 | 0 | 0 | 110.9 | D398 | E396-D398 PolarHBondContact O-N 3.3Š|
| 397 | E | 42.8 | Very low | 34.3 | Very low | 187 Ų | 187 | 147.9 Ų | 147.9 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 116.5 | 175.2 | -165.4 | 179.5 | 133.6 | 0 | 0 | 109.2 | ||
| 398 | D | 28.7 | Very low | 34.6 | Very low | 160 Ų | 160 | 147.2 Ų | 147.2 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | trans | -144.3 | 145.7 | 156.9 | -141.4 | -19 | 0 | 0 | 0 | 112.3 | E396 | E396-D398 PolarHBondContact O-N 3.3Š| ||
| 399 | T | 39.8 | Very low | 34.5 | Very low | 117 Ų | 117 | 150.1 Ų | 150.1 | 72% | 0.718 | 80% | 0.798 | S | S | * | * | trans | -91.9 | 145.5 | -158.6 | -60.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 400 | A | 36.8 | Very low | 34.7 | Very low | 75 Ų | 75 | 151.3 Ų | 151.3 | 62% | 0.62 | 80% | 0.804 | S | S | * | * | trans | 98 | 141.4 | 151.8 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 401 | H | 33.7 | Very low | 34.9 | Very low | 184 Ų | 184 | 150.5 Ų | 150.5 | 85% | 0.852 | 80% | 0.804 | S | S | * | * | trans | 94.1 | 104.6 | 158.1 | -59.4 | -70.9 | 0 | 0 | 0 | 119.5 | ||||
| 402 | S | 41.2 | Very low | 35.3 | Very low | 116 Ų | 116 | 148.3 Ų | 148.3 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | trans | -30.2 | 134.7 | 161.5 | -61.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 403 | Q | 32.8 | Very low | 35.5 | Very low | 197 Ų | 197 | 151.1 Ų | 151.1 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | -164.9 | 142.9 | 112.5 | -102.5 | -178.9 | 13 | 0 | 0 | 111.3 | |||||
| 404 | V | 37.4 | Very low | 35.5 | Very low | 122 Ų | 122 | 150.4 Ų | 150.4 | 74% | 0.739 | 79% | 0.788 | S | S | * | * | trans | -91.6 | 121.5 | -175.5 | 167.2 | 0 | 0 | 0 | 0 | 109.2 | R406 | V404-R406 HydrophobicContact CG1-CG 4.25Š| ||
| 405 | E | 29.9 | Very low | 35.4 | Very low | 179 Ų | 179 | 151.4 Ų | 151.4 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | trans | -128.7 | 129.8 | 151.6 | -84.9 | -136 | 124.8 | 0 | 0 | 109.8 | ||||
| 406 | R | 34.4 | Very low | 35.7 | Very low | 230 Ų | 230 | 151 Ų | 151 | 87% | 0.868 | 78% | 0.783 | S | S | * | * | trans | -93.7 | 119.5 | -175.5 | -66.5 | 179 | -177.6 | 150.9 | 0.1 | 109.7 | V404 | V404-R406 HydrophobicContact CG1-CG 4.25Š| ||
| 407 | H | 32.2 | Very low | 35.6 | Very low | 165 Ų | 165 | 146 Ų | 146 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | trans | -105.9 | 141.3 | 162.9 | -71.4 | -62.2 | 0 | 0 | 0 | 111.1 | ||||
| 408 | P | 41 | Very low | 34.8 | Very low | 108 Ų | 108 | 142.9 Ų | 142.9 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | trans | -101.8 | 76 | -177.5 | 38.1 | -29.8 | 0 | 0 | 0 | 111.7 | ||||
| 409 | F | 31.3 | Very low | 35 | Very low | 184 Ų | 184 | 150.6 Ų | 150.6 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | trans | -147.6 | 130.8 | 163.3 | -67.7 | -73.8 | 0 | 0 | 0 | 109.8 | V411 | F409-V411 PolarHBondContact O-N 3.5Š| ||
| 410 | P | 37.2 | Very low | 34.7 | Very low | 127 Ų | 127 | 152.3 Ų | 152.3 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 119.1 | -177.6 | 29.7 | -31 | 0 | 0 | 0 | 111.2 | ||
| 411 | V | 38.3 | Very low | 34.6 | Very low | 133 Ų | 133 | 156.3 Ų | 156.3 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 119.6 | 170.4 | 176.9 | 0 | 0 | 0 | 0 | 108.7 | F409 | F409-V411 PolarHBondContact O-N 3.5Š|
| 412 | V | 36.2 | Very low | 34.7 | Very low | 114 Ų | 114 | 154.8 Ų | 154.8 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 116.7 | 172.7 | 179.3 | 0 | 0 | 0 | 0 | 108.3 | ||
| 413 | R | 37.8 | Very low | 34.3 | Very low | 220 Ų | 220 | 157.1 Ų | 157.1 | 83% | 0.83 | 79% | 0.792 | S | S | * | * | trans | -83.7 | 115.5 | 171.7 | -91.8 | -174.9 | 158.8 | 162.2 | -4.7 | 109.7 | ||||
| 414 | L | 34.5 | Very low | 34.4 | Very low | 114 Ų | 114 | 154.6 Ų | 154.6 | 60% | 0.597 | 78% | 0.784 | S | S | * | * | trans | -75.5 | 117.2 | 163.9 | -68.2 | 166.2 | 0 | 0 | 0 | 107.7 | ||||
| 415 | L | 33.7 | Very low | 34.2 | Very low | 132 Ų | 132 | 156.7 Ų | 156.7 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | trans | -86.5 | 127.3 | 173.3 | -81.3 | 158.6 | 0 | 0 | 0 | 109.3 | ||||
| 416 | P | 36.4 | Very low | 34.5 | Very low | 115 Ų | 115 | 155.1 Ų | 155.1 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | trans | -83.6 | 115.1 | 166.2 | 31.5 | -26 | 0 | 0 | 0 | 108.6 | ||||
| 417 | S | 31 | Very low | 34.5 | Very low | 87 Ų | 87 | 149.4 Ų | 149.4 | 61% | 0.608 | 78% | 0.777 | S | S | * | * | trans | -152.2 | 92.3 | 162.1 | -72.2 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 418 | C | 27.1 | Very low | 34.7 | Very low | 122 Ų | 122 | 148.1 Ų | 148.1 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | 62.9 | 110.5 | 95.1 | -70.7 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 419 | R | 31.5 | Very low | 34.1 | Very low | 321 Ų | 321 | 151.7 Ų | 151.7 | 100% | 1.211 | 79% | 0.785 | S | S | * | * | -169 | 0 | 83.9 | -130.2 | 177.3 | -174.5 | -174.7 | 1.3 | 111.4 |
Retrieved 419 of 419 residues in 233.5 ms
(Link to these results)